#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1s5d n ASP 2 N 0.00 4.34 -4.71 0.53 5.75 -1.25 -4.34 116.55 116.87 1s5d n ASP 2 Ca 0.00 -2.66 -0.40 0.00 -0.01 0.00 0.00 54.79 51.72 1s5d n ASP 2 Cb 0.00 -0.63 0.03 0.00 -1.03 0.00 0.00 41.12 39.48 1s5d n ASP 2 CO 0.00 0.00 0.00 0.47 -0.11 0.00 0.00 177.20 177.56 1s5d n ASP 3 N 0.43 2.48 -4.49 -1.12 8.00 -1.26 -4.93 116.55 115.65 1s5d n ASP 3 Ca 0.20 1.03 -0.28 0.00 0.71 0.00 0.00 54.79 56.44 1s5d n ASP 3 Cb 0.93 -1.53 -0.11 0.00 -0.02 0.00 0.00 41.12 40.39 1s5d n ASP 3 CO 0.00 0.00 0.00 -0.54 -0.39 0.00 0.00 177.20 176.27 1s5d s LYS 4 N -2.55 1.78 0.37 -1.24 -0.14 -1.26 -2.90 119.74 113.80 1s5d s LYS 4 Ca 0.67 -1.28 0.08 0.00 -1.36 0.00 0.00 55.97 54.08 1s5d s LYS 4 Cb -0.46 -2.06 -0.06 0.00 -1.68 0.00 0.00 37.83 33.57 1s5d s LYS 4 CO 0.53 0.45 0.04 -0.51 -0.76 0.00 0.00 175.35 175.11 1s5d s LEU 5 N -2.41 2.98 -0.03 3.17 1.43 0.16 -4.75 118.68 119.24 1s5d s LEU 5 Ca 0.20 -1.07 -0.02 0.00 -1.03 0.00 0.00 54.13 52.20 1s5d s LEU 5 Cb -0.10 -1.29 0.01 0.00 0.03 0.00 0.00 46.19 44.85 1s5d s LEU 5 CO 0.11 -0.33 0.07 -0.31 0.23 0.00 0.00 176.35 176.12 1s5d s TYR 6 N -2.57 -0.07 -0.12 0.29 1.51 -0.11 -0.40 117.35 115.89 1s5d s TYR 6 Ca 0.36 0.20 -0.05 0.00 -1.01 0.00 0.00 57.07 56.57 1s5d s TYR 6 Cb 0.02 -0.01 0.06 0.00 -0.11 0.00 0.00 41.96 41.93 1s5d s TYR 6 CO 0.20 -0.05 0.26 0.50 -1.11 0.00 0.00 175.55 175.35 1s5d s ARG 7 N 0.22 0.17 0.22 -0.62 3.52 -0.59 0.10 118.95 121.96 1s5d s ARG 7 Ca -0.01 0.67 -0.30 0.00 -0.13 0.00 0.00 55.73 55.95 1s5d s ARG 7 Cb -0.02 -0.07 -0.08 0.00 -1.56 0.00 0.00 34.95 33.22 1s5d s ARG 7 CO -0.01 -0.24 0.95 0.00 -0.81 0.00 0.00 175.30 175.20 1s5d s ALA 8 N 1.96 3.32 -0.27 6.12 0.00 -1.26 -0.77 121.76 130.87 1s5d s ALA 8 Ca -0.03 0.62 -0.19 0.00 0.00 0.00 0.00 51.96 52.36 1s5d s ALA 8 Cb -0.11 -3.23 0.07 0.00 0.00 0.00 0.00 23.12 19.85 1s5d s ALA 8 CO -0.09 0.15 0.68 0.34 0.00 0.00 0.00 175.76 176.84 1s5d s ASP 9 N -0.93 -0.83 0.52 0.00 -1.08 -0.16 -4.56 116.67 109.64 1s5d s ASP 9 Ca 0.42 1.43 0.31 0.00 -0.52 0.00 0.00 52.55 54.20 1s5d s ASP 9 Cb -0.26 1.37 1.09 0.00 -1.46 0.00 0.00 42.92 43.66 1s5d s ASP 9 CO 0.32 -0.24 1.88 0.77 0.52 0.00 0.00 175.17 178.43 1s5d h SER 10 N 6.21 0.00 -2.69 -0.34 4.64 -1.87 -1.82 113.55 117.68 1s5d h SER 10 Ca -0.30 0.00 -0.55 0.00 -0.47 0.00 0.00 61.79 60.47 1s5d h SER 10 Cb 1.20 0.00 -0.01 0.00 -0.31 0.00 0.00 62.40 63.28 1s5d h SER 10 CO 0.13 0.00 1.03 -0.13 -0.87 0.00 0.00 176.83 176.99 1s5d s ARG 11 N -3.54 4.20 0.67 4.77 0.52 -1.26 -4.81 118.95 119.50 1s5d s ARG 11 Ca 0.03 2.09 -0.11 0.00 -0.52 0.00 0.00 55.73 57.22 1s5d s ARG 11 Cb 0.08 -3.89 -0.01 0.00 0.52 0.00 0.00 34.95 31.64 1s5d s ARG 11 CO 0.58 -0.79 1.07 -1.25 0.02 0.00 0.00 175.30 174.92 1s5d s PRO 12 N 3.73 3.19 0.30 3.54 0.04 -1.26 -4.79 135.00 139.74 1s5d s PRO 12 Ca 0.70 0.59 0.05 0.00 0.04 0.00 0.00 61.00 62.38 1s5d s PRO 12 Cb -0.32 -2.05 0.72 0.00 0.04 0.00 0.00 34.50 32.90 1s5d s PRO 12 CO 0.27 -0.83 1.78 -1.35 0.04 0.00 0.00 177.00 176.91 1s5d h PRO 13 N -0.51 0.76 -0.74 0.56 0.11 -1.97 -1.26 132.00 128.94 1s5d h PRO 13 Ca -0.45 -0.05 -0.01 0.00 0.11 0.00 0.00 66.00 65.61 1s5d h PRO 13 Cb 1.22 -0.17 -0.04 0.00 0.11 0.00 0.00 31.00 32.13 1s5d h PRO 13 CO 0.63 0.50 0.44 -0.44 -0.21 0.00 0.00 178.00 178.92 1s5d h ASP 14 N 0.78 0.90 -0.46 -2.05 3.32 -2.00 -0.22 116.42 116.69 1s5d h ASP 14 Ca 0.57 -0.07 -0.02 0.00 0.02 0.00 0.00 57.03 57.53 1s5d h ASP 14 Cb 0.86 -0.23 -0.02 0.00 0.22 0.00 0.00 39.33 40.16 1s5d h ASP 14 CO -0.37 0.71 0.22 -0.08 -1.72 0.00 0.00 179.24 177.99 1s5d h GLU 15 N 1.02 0.66 -0.59 3.56 4.81 -1.64 -1.59 114.58 120.81 1s5d h GLU 15 Ca 0.27 -0.10 0.01 0.00 -0.13 0.00 0.00 59.36 59.41 1s5d h GLU 15 Cb -0.02 -0.12 -0.03 0.00 0.63 0.00 0.00 28.75 29.21 1s5d h GLU 15 CO -0.05 0.56 0.39 0.82 -0.73 0.00 0.00 179.01 180.00 1s5d h ILE 16 N 0.60 1.14 -0.08 2.32 1.08 -0.68 0.50 117.51 122.39 1s5d h ILE 16 Ca 0.16 -0.27 -0.00 0.00 -0.39 0.00 0.00 64.86 64.36 1s5d h ILE 16 Cb 0.12 0.29 -0.00 0.00 -3.07 0.00 0.00 36.82 34.15 1s5d h ILE 16 CO -0.02 0.14 0.05 0.50 -0.69 0.00 0.00 178.15 178.13 1s5d h LYS 17 N 0.79 0.10 -0.63 2.37 3.11 -0.92 0.87 116.57 122.26 1s5d h LYS 17 Ca 0.22 -0.01 0.05 0.00 -2.81 0.00 0.00 60.65 58.10 1s5d h LYS 17 Cb -0.08 -0.02 -0.04 0.00 -1.00 0.00 0.00 32.23 31.09 1s5d h LYS 17 CO -0.05 0.11 0.42 0.37 -2.81 0.00 0.00 179.45 177.49 1s5d h GLN 18 N 0.07 0.65 -0.00 1.90 5.75 -0.83 -1.96 115.11 120.68 1s5d h GLN 18 Ca 0.03 -0.04 0.00 0.00 -0.15 0.00 0.00 58.65 58.49 1s5d h GLN 18 Cb 0.04 -0.15 0.00 0.00 1.07 0.00 0.00 27.48 28.44 1s5d h GLN 18 CO -0.01 0.43 -0.22 0.43 -2.65 0.00 0.00 178.83 176.81 1s5d n SER 19 N -4.47 0.49 0.00 -0.69 7.64 0.13 -4.92 113.62 111.80 1s5d n SER 19 Ca 0.08 -0.35 0.00 0.00 1.01 0.00 0.00 58.87 59.61 1s5d n SER 19 Cb 0.19 -0.02 0.00 0.00 -1.01 0.00 0.00 64.21 63.37 1s5d n SER 19 CO 0.00 0.00 0.00 0.61 -3.01 0.00 0.00 175.04 172.64 1s5d n GLY 20 N 1.39 0.45 0.00 0.23 0.00 -0.42 -4.89 105.19 101.95 1s5d n GLY 20 Ca 0.10 -0.55 0.00 0.00 0.00 0.00 0.00 46.02 45.57 1s5d n GLY 20 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 1s5d n GLY 21 N -2.97 0.93 3.47 -0.02 0.00 0.17 -1.27 105.19 105.50 1s5d n GLY 21 Ca 0.00 -1.93 -0.43 0.00 0.00 0.00 0.00 46.02 43.65 1s5d n GLY 21 CO 0.00 0.00 0.00 1.08 0.00 0.00 0.00 173.32 174.40 1s5d s LEU 22 N 0.00 4.74 0.27 0.99 1.43 0.07 -4.65 118.68 121.53 1s5d s LEU 22 Ca 0.00 -0.72 -0.08 0.00 -1.03 0.00 0.00 54.13 52.30 1s5d s LEU 22 Cb 0.00 -2.56 -0.07 0.00 0.03 0.00 0.00 46.19 43.60 1s5d s LEU 22 CO 0.00 -0.92 0.58 -0.04 0.23 0.00 0.00 176.35 176.20 1s5d s MET 23 N 2.86 3.75 0.83 1.70 -1.94 -1.26 -1.20 119.30 124.04 1s5d s MET 23 Ca 0.19 0.22 -0.11 0.00 -1.71 0.00 0.00 55.69 54.28 1s5d s MET 23 Cb -0.17 -2.61 0.09 0.00 2.01 0.00 0.00 34.83 34.15 1s5d s MET 23 CO 0.14 0.24 1.09 -2.14 -0.01 0.00 0.00 175.02 174.35 1s5d s PRO 24 N -3.16 1.78 0.20 2.03 0.02 -1.26 -4.96 135.00 129.65 1s5d s PRO 24 Ca 0.47 0.99 -0.10 0.00 0.02 0.00 0.00 61.00 62.38 1s5d s PRO 24 Cb -0.11 -1.85 0.19 0.00 0.02 0.00 0.00 34.50 32.75 1s5d s PRO 24 CO 0.25 -1.93 1.83 -0.09 -0.33 0.00 0.00 177.00 176.73 1s5d h ARG 25 N -1.33 0.73 -0.10 5.54 2.43 -0.84 -3.10 114.38 117.71 1s5d h ARG 25 Ca -0.46 -0.04 0.00 0.00 -0.81 0.00 0.00 59.98 58.66 1s5d h ARG 25 Cb 1.26 -0.17 0.00 0.00 -0.42 0.00 0.00 29.97 30.64 1s5d h ARG 25 CO 0.53 0.49 0.00 0.41 -1.51 0.00 0.00 179.97 179.89 1s5d n GLY 26 N -1.28 -0.47 0.13 2.80 0.00 -1.26 -4.17 105.19 100.94 1s5d n GLY 26 Ca 0.07 -0.17 -0.17 0.00 0.00 0.00 0.00 46.02 45.75 1s5d n GLY 26 CO 0.00 0.00 0.00 -1.61 0.00 0.00 0.00 173.32 171.71 1s5d h GLN 27 N 0.75 0.34 -1.48 1.61 4.15 -1.93 -3.42 115.11 115.11 1s5d h GLN 27 Ca 0.00 -0.37 0.00 0.00 0.77 0.00 0.00 58.65 59.05 1s5d h GLN 27 Cb 0.17 0.11 0.00 0.00 0.21 0.00 0.00 27.48 27.97 1s5d h GLN 27 CO 0.00 1.07 0.00 0.43 -1.93 0.00 0.00 178.83 178.40 1s5d n SER 28 N -4.29 0.00 -4.70 -0.69 7.64 -1.26 -4.95 113.62 105.37 1s5d n SER 28 Ca -0.10 -0.00 -0.42 0.00 1.01 0.00 0.00 58.87 59.35 1s5d n SER 28 Cb 0.64 0.00 -0.03 0.00 -1.01 0.00 0.00 64.21 63.81 1s5d n SER 28 CO 0.00 0.00 0.00 -1.10 -3.01 0.00 0.00 175.04 170.93 1s5d s GLN 36 N 0.48 4.29 0.73 1.43 -1.52 -1.26 -5.20 119.66 118.62 1s5d s GLN 36 Ca 0.00 2.06 -0.13 0.00 -1.95 0.00 0.00 55.36 55.35 1s5d s GLN 36 Cb 0.00 -3.40 0.04 0.00 -0.22 0.00 0.00 33.01 29.42 1s5d s GLN 36 CO 0.00 -0.52 1.11 0.00 -0.25 0.00 0.00 175.29 175.63 1s5d s MET 37 N 1.74 2.40 0.12 2.91 0.00 -1.26 -4.96 119.30 120.26 1s5d s MET 37 Ca 0.65 1.33 -0.31 0.00 0.00 0.00 0.00 55.69 57.36 1s5d s MET 37 Cb -0.35 -1.90 -0.08 0.00 0.00 0.00 0.00 34.83 32.49 1s5d s MET 37 CO 0.29 -1.55 1.43 1.21 0.00 0.00 0.00 175.02 176.40 1s5d s ASN 38 N -2.91 6.77 -0.26 -1.18 3.04 -1.26 -4.96 114.94 114.18 1s5d s ASN 38 Ca 0.65 2.39 0.03 0.00 0.04 0.00 0.00 52.86 55.97 1s5d s ASN 38 Cb -0.20 -2.59 0.06 0.00 -1.54 0.00 0.00 41.25 36.99 1s5d s ASN 38 CO 0.49 -0.69 -0.10 -0.63 -3.04 0.00 0.00 177.10 173.13 1s5d s ILE 39 N 1.14 2.13 -0.26 -5.21 1.01 -1.26 -2.04 121.20 116.72 1s5d s ILE 39 Ca 0.66 -1.63 -0.05 0.00 0.00 0.00 0.00 60.65 59.63 1s5d s ILE 39 Cb -0.38 -2.26 0.14 0.00 0.01 0.00 0.00 42.46 39.96 1s5d s ILE 39 CO 0.30 -0.05 0.51 0.21 0.00 0.00 0.00 174.94 175.91 1s5d s ASN 40 N 1.11 -0.63 0.10 3.58 3.84 -0.35 -4.57 114.94 118.01 1s5d s ASN 40 Ca -0.08 0.88 -0.17 0.00 0.21 0.00 0.00 52.86 53.70 1s5d s ASN 40 Cb -0.20 1.72 -0.07 0.00 -0.55 0.00 0.00 41.25 42.15 1s5d s ASN 40 CO -0.05 -0.26 1.49 0.25 -2.79 0.00 0.00 177.10 175.74 1s5d h LEU 41 N 8.09 0.59 -0.34 3.21 5.85 -1.69 -0.59 115.31 130.42 1s5d h LEU 41 Ca -0.19 -0.37 0.02 0.00 0.84 0.00 0.00 57.88 58.18 1s5d h LEU 41 Cb 1.13 -0.16 -0.03 0.00 0.37 0.00 0.00 40.66 41.98 1s5d h LEU 41 CO 0.20 0.82 0.19 0.22 -0.34 0.00 0.00 178.44 179.53 1s5d h TYR 42 N 0.34 0.35 -0.44 1.25 3.20 -1.37 0.97 116.97 121.27 1s5d h TYR 42 Ca 0.07 0.01 -0.01 0.00 3.14 0.00 0.00 58.73 61.94 1s5d h TYR 42 Cb 0.57 -0.11 -0.02 0.00 1.54 0.00 0.00 36.73 38.71 1s5d h TYR 42 CO 0.05 0.20 0.22 -0.44 -1.64 0.00 0.00 178.16 176.55 1s5d h ASP 43 N 0.38 0.57 -0.52 -2.11 3.32 -1.81 -2.40 116.42 113.85 1s5d h ASP 43 Ca 0.14 -0.12 0.03 0.00 0.02 0.00 0.00 57.03 57.11 1s5d h ASP 43 Cb 0.03 -0.15 -0.04 0.00 0.22 0.00 0.00 39.33 39.39 1s5d h ASP 43 CO -0.08 0.52 0.29 -0.74 -1.72 0.00 0.00 179.24 177.51 1s5d h HIS 44 N 0.57 0.54 0.00 4.55 -0.00 -0.62 -2.18 115.15 118.01 1s5d h HIS 44 Ca 0.15 0.02 -0.07 0.00 -0.00 0.00 0.00 60.37 60.47 1s5d h HIS 44 Cb 0.10 -0.17 -0.01 0.00 -0.00 0.00 0.00 27.41 27.33 1s5d h HIS 44 CO -0.01 0.29 -0.33 0.00 -0.00 0.00 0.00 177.93 177.88 1s5d h ALA 45 N 1.25 1.20 0.00 5.26 0.00 -0.62 -2.40 119.26 123.95 1s5d h ALA 45 Ca 0.21 -0.30 0.00 0.00 0.00 0.00 0.00 54.91 54.82 1s5d h ALA 45 Cb 0.06 -0.05 0.00 0.00 0.00 0.00 0.00 17.79 17.80 1s5d h ALA 45 CO -0.12 0.42 -0.49 0.54 0.00 0.00 0.00 179.25 179.60 1s5d n ARG 46 N -3.78 0.14 -1.74 0.00 1.74 -0.92 -4.77 116.66 107.34 1s5d n ARG 46 Ca -0.01 0.05 -0.39 0.00 -0.77 0.00 0.00 57.85 56.72 1s5d n ARG 46 Cb 0.42 -1.60 0.03 0.00 -1.02 0.00 0.00 32.46 30.30 1s5d n ARG 46 CO 0.00 0.00 0.00 0.41 -1.52 0.00 0.00 177.63 176.52 1s5d n GLY 47 N 1.42 0.75 0.00 -0.13 0.00 -0.85 -5.10 105.19 101.28 1s5d n GLY 47 Ca 0.05 0.08 0.00 0.00 0.00 0.00 0.00 46.02 46.14 1s5d n GLY 47 CO 0.00 0.00 0.00 -1.30 0.00 0.00 0.00 173.32 172.02 1s5d n THR 48 N -0.75 0.00 -3.15 2.61 -2.24 -1.26 -4.94 114.28 104.54 1s5d n THR 48 Ca 0.09 0.00 0.05 0.00 -2.27 0.00 0.00 64.05 61.92 1s5d n THR 48 Cb 0.43 -0.40 -0.02 0.00 -2.10 0.00 0.00 70.33 68.25 1s5d n THR 48 CO 0.00 0.00 0.00 0.28 -0.57 0.00 0.00 175.07 174.78 1s5d s THR 50 N 0.00 -0.38 0.00 4.28 -1.32 -1.26 -4.87 115.64 112.09 1s5d s THR 50 Ca 0.00 0.00 0.00 0.00 -1.21 0.00 0.00 61.69 60.48 1s5d s THR 50 Cb 0.00 -0.96 0.00 0.00 -1.51 0.00 0.00 72.50 70.03 1s5d s THR 50 CO 0.00 0.00 0.00 0.61 -2.21 0.00 0.00 174.62 173.02 1s5d n GLY 51 N 5.45 2.58 2.87 6.08 0.00 -1.26 -4.99 105.19 115.93 1s5d n GLY 51 Ca -0.06 0.00 -0.14 0.00 0.00 0.00 0.00 46.02 45.83 1s5d n GLY 51 CO 0.00 0.00 0.00 -1.36 0.00 0.00 0.00 173.32 171.96 1s5d s PHE 52 N -2.99 0.13 0.37 1.61 0.40 -1.26 -4.81 117.98 111.42 1s5d s PHE 52 Ca 0.00 -0.00 -0.28 0.00 -0.60 0.00 0.00 56.93 56.04 1s5d s PHE 52 Cb 0.00 -0.12 -0.11 0.00 0.51 0.00 0.00 43.02 43.29 1s5d s PHE 52 CO 0.00 -0.02 1.46 0.28 0.70 0.00 0.00 175.22 177.64 1s5d n VAL 53 N 3.26 1.95 -1.56 -0.44 0.31 -1.26 -4.78 118.33 115.82 1s5d n VAL 53 Ca -0.15 -0.49 -0.61 0.00 -0.01 0.00 0.00 64.34 63.08 1s5d n VAL 53 Cb 0.58 -1.91 -0.09 0.00 -0.91 0.00 0.00 33.84 31.51 1s5d n VAL 53 CO 0.00 0.00 0.00 0.54 -1.32 0.00 0.00 176.83 176.05 1s5d n ARG 54 N 0.54 0.00 -0.75 5.55 1.74 -1.26 -4.78 116.66 117.70 1s5d n ARG 54 Ca 0.02 0.00 -0.01 0.00 -0.77 0.00 0.00 57.85 57.09 1s5d n ARG 54 Cb 0.38 -1.42 -0.01 0.00 -1.02 0.00 0.00 32.46 30.39 1s5d n ARG 54 CO 0.00 0.00 0.00 -2.39 -1.52 0.00 0.00 177.63 173.72 1s5d n HIS 55 N 2.78 0.00 -3.10 -1.55 1.44 -1.26 -1.66 115.22 111.87 1s5d n HIS 55 Ca 0.25 -0.18 -0.19 0.00 -2.01 0.00 0.00 57.72 55.59 1s5d n HIS 55 Cb -0.00 0.16 0.01 0.00 0.12 0.00 0.00 29.99 30.28 1s5d n HIS 55 CO 0.00 0.00 0.00 0.34 -2.81 0.00 0.00 176.34 173.87 1s5d s ASP 56 N -0.77 5.72 -1.39 4.39 -1.08 -1.24 -0.13 116.67 122.16 1s5d s ASP 56 Ca 0.05 -0.19 -0.09 0.00 -0.52 0.00 0.00 52.55 51.80 1s5d s ASP 56 Cb 0.06 -0.99 0.01 0.00 -1.46 0.00 0.00 42.92 40.54 1s5d s ASP 56 CO -0.03 -0.71 1.11 0.47 0.52 0.00 0.00 175.17 176.54 1s5d n ASP 57 N -1.89 -6.28 0.00 -0.34 8.00 -1.26 -3.37 116.55 111.41 1s5d n ASP 57 Ca 0.05 -0.53 0.00 0.00 0.71 0.00 0.00 54.79 55.02 1s5d n ASP 57 Cb 0.59 -4.95 0.00 0.00 -0.02 0.00 0.00 41.12 36.73 1s5d n ASP 57 CO 0.00 0.00 0.00 0.61 -0.39 0.00 0.00 177.20 177.42 1s5d n GLY 58 N -1.94 0.75 3.33 0.44 0.00 -0.86 -1.21 105.19 105.69 1s5d n GLY 58 Ca -0.00 0.00 -0.19 0.00 0.00 0.00 0.00 46.02 45.83 1s5d n GLY 58 CO 0.00 0.00 0.00 -0.19 0.00 0.00 0.00 173.32 173.13 1s5d s TYR 59 N -2.82 1.71 -0.12 1.61 1.51 -1.22 0.13 117.35 118.17 1s5d s TYR 59 Ca 0.00 -0.54 0.01 0.00 -1.01 0.00 0.00 57.07 55.53 1s5d s TYR 59 Cb 0.00 -0.82 0.02 0.00 -0.11 0.00 0.00 41.96 41.05 1s5d s TYR 59 CO 0.00 0.34 -0.12 0.08 -1.11 0.00 0.00 175.55 174.74 1s5d s VAL 60 N -2.65 1.31 0.28 0.71 1.01 -0.57 -3.73 120.40 116.75 1s5d s VAL 60 Ca 0.20 -0.50 -0.13 0.00 0.00 0.00 0.00 61.98 61.55 1s5d s VAL 60 Cb -0.02 -1.25 -0.08 0.00 0.00 0.00 0.00 36.38 35.03 1s5d s VAL 60 CO 0.06 0.41 0.65 -0.55 0.00 0.00 0.00 175.10 175.68 1s5d s SER 61 N 1.34 6.71 0.14 3.32 0.15 -0.66 -0.71 113.70 123.98 1s5d s SER 61 Ca -0.00 1.12 -0.01 0.00 0.70 0.00 0.00 55.95 57.76 1s5d s SER 61 Cb -0.14 -2.31 -0.04 0.00 -1.71 0.00 0.00 66.02 61.83 1s5d s SER 61 CO -0.06 -0.14 0.05 0.42 1.20 0.00 0.00 173.24 174.71 1s5d s THR 62 N -1.90 0.18 0.22 6.45 -4.23 0.16 -4.85 115.64 111.68 1s5d s THR 62 Ca 0.51 -1.92 0.06 0.00 -1.18 0.00 0.00 61.69 59.15 1s5d s THR 62 Cb -0.11 -2.07 -0.04 0.00 1.34 0.00 0.00 72.50 71.62 1s5d s THR 62 CO 0.19 -0.45 0.22 -0.44 -0.54 0.00 0.00 174.62 173.60 1s5d s SER 63 N -3.07 5.71 0.00 3.99 0.01 0.11 -1.74 113.70 118.71 1s5d s SER 63 Ca 0.25 -0.14 0.26 0.00 1.31 0.00 0.00 55.95 57.63 1s5d s SER 63 Cb 0.07 -1.53 1.05 0.00 0.21 0.00 0.00 66.02 65.83 1s5d s SER 63 CO 0.02 -0.01 1.73 2.30 0.41 0.00 0.00 173.24 177.69 1s5d n ILE 64 N -0.99 0.06 -3.72 1.44 -5.35 -1.26 -0.93 119.36 108.61 1s5d n ILE 64 Ca -0.08 -0.25 -0.12 0.00 -0.27 0.00 0.00 62.75 62.04 1s5d n ILE 64 Cb 0.57 0.35 -0.07 0.00 -1.74 0.00 0.00 39.64 38.75 1s5d n ILE 64 CO 0.00 0.00 0.00 -0.94 -1.76 0.00 0.00 176.55 173.85 1s5d s SER 65 N -1.87 -0.16 0.16 7.28 1.04 -1.26 -4.88 113.70 114.02 1s5d s SER 65 Ca 0.37 -0.19 -0.13 0.00 0.48 0.00 0.00 55.95 56.48 1s5d s SER 65 Cb 0.20 0.39 0.05 0.00 0.10 0.00 0.00 66.02 66.76 1s5d s SER 65 CO 0.31 -0.66 1.70 0.25 0.98 0.00 0.00 173.24 175.82 1s5d h LEU 66 N 3.03 0.78 -0.26 2.42 5.85 -1.95 -1.58 115.31 123.61 1s5d h LEU 66 Ca -0.32 -0.19 0.05 0.00 0.84 0.00 0.00 57.88 58.25 1s5d h LEU 66 Cb 1.21 -0.20 -0.04 0.00 0.37 0.00 0.00 40.66 41.99 1s5d h LEU 66 CO 0.46 0.77 -0.03 -0.09 -0.34 0.00 0.00 178.44 179.21 1s5d h ARG 67 N 0.75 0.04 -0.64 1.25 2.43 -1.99 0.47 114.38 116.70 1s5d h ARG 67 Ca 0.18 -0.00 -0.02 0.00 -0.81 0.00 0.00 59.98 59.32 1s5d h ARG 67 Cb 0.25 -0.01 -0.03 0.00 -0.42 0.00 0.00 29.97 29.76 1s5d h ARG 67 CO -0.01 0.03 0.32 0.77 -1.51 0.00 0.00 179.97 179.56 1s5d h SER 68 N 0.04 0.83 -0.49 -3.80 0.02 -1.93 -1.23 113.55 106.98 1s5d h SER 68 Ca 0.12 -0.12 -0.08 0.00 -0.84 0.00 0.00 61.79 60.86 1s5d h SER 68 Cb 0.17 -0.21 -0.02 0.00 0.14 0.00 0.00 62.40 62.48 1s5d h SER 68 CO -0.23 0.72 0.00 0.00 -1.14 0.00 0.00 176.83 176.18 1s5d h ALA 69 N 1.14 0.99 -0.36 3.77 0.00 -0.83 -1.36 119.26 122.61 1s5d h ALA 69 Ca 0.22 -0.29 -0.05 0.00 0.00 0.00 0.00 54.91 54.79 1s5d h ALA 69 Cb 0.10 -0.21 -0.01 0.00 0.00 0.00 0.00 17.79 17.67 1s5d h ALA 69 CO -0.03 0.62 0.02 1.25 0.00 0.00 0.00 179.25 181.11 1s5d h HIS 70 N 0.85 0.68 -0.80 0.00 6.17 -0.61 -0.92 115.15 120.52 1s5d h HIS 70 Ca 0.16 -0.11 -0.02 0.00 0.71 0.00 0.00 60.37 61.11 1s5d h HIS 70 Cb 0.50 -0.18 -0.04 0.00 2.52 0.00 0.00 27.41 30.21 1s5d h HIS 70 CO 0.03 0.71 0.41 -0.07 0.71 0.00 0.00 177.93 179.72 1s5d h LEU 71 N 0.45 1.02 -0.61 0.26 4.07 -1.04 -0.61 115.31 118.84 1s5d h LEU 71 Ca 0.11 -0.12 -0.05 0.00 0.08 0.00 0.00 57.88 57.90 1s5d h LEU 71 Cb 0.42 -0.26 -0.03 0.00 1.08 0.00 0.00 40.66 41.88 1s5d h LEU 71 CO 0.01 0.85 0.19 0.58 -1.08 0.00 0.00 178.44 178.99 1s5d h VAL 72 N 1.12 1.24 -0.83 1.22 2.07 -1.12 -2.74 116.25 117.21 1s5d h VAL 72 Ca 0.28 -0.84 -0.03 0.00 0.82 0.00 0.00 66.70 66.93 1s5d h VAL 72 Cb 0.08 0.63 -0.04 0.00 -1.52 0.00 0.00 31.29 30.44 1s5d h VAL 72 CO -0.04 0.32 0.39 1.23 0.02 0.00 0.00 177.57 179.49 1s5d h GLY 73 N 0.87 1.29 2.00 2.17 0.00 -0.62 -1.81 103.07 106.98 1s5d h GLY 73 Ca 0.20 -0.65 -0.05 0.00 0.00 0.00 0.00 47.33 46.82 1s5d h GLY 73 CO -0.01 0.62 -0.26 1.46 0.00 0.00 0.00 176.54 178.36 1s5d h GLN 74 N 1.19 0.00 -0.06 4.80 1.08 -0.97 0.64 115.11 121.79 1s5d h GLN 74 Ca 0.29 0.00 -0.10 0.00 -1.45 0.00 0.00 58.65 57.39 1s5d h GLN 74 Cb 0.13 0.00 0.00 0.00 -0.05 0.00 0.00 27.48 27.57 1s5d h GLN 74 CO -0.03 0.26 -0.34 1.15 -0.95 0.00 0.00 178.83 178.91 1s5d h THR 75 N 0.00 1.43 0.04 -0.54 2.02 -1.12 -3.28 112.91 111.47 1s5d h THR 75 Ca -0.00 -1.77 -0.33 0.00 0.77 0.00 0.00 66.41 65.07 1s5d h THR 75 Cb 0.56 2.38 -0.04 0.00 -1.74 0.00 0.00 68.15 69.30 1s5d h THR 75 CO 0.03 0.51 -1.95 -0.38 0.37 0.00 0.00 175.52 174.10 1s5d n ILE 76 N -4.41 1.63 -0.68 3.11 -0.00 -0.73 -4.52 119.36 113.75 1s5d n ILE 76 Ca -0.09 -0.74 0.07 0.00 -0.00 0.00 0.00 62.75 61.99 1s5d n ILE 76 Cb 0.52 -1.22 0.15 0.00 -0.00 0.00 0.00 39.64 39.08 1s5d n ILE 76 CO 0.00 0.00 0.00 0.18 -0.00 0.00 0.00 176.55 176.73 1s5d n LEU 77 N -3.17 2.80 -4.77 1.39 4.77 0.22 -4.40 117.00 113.84 1s5d n LEU 77 Ca -0.26 -2.67 -0.41 0.00 -0.03 0.00 0.00 56.01 52.64 1s5d n LEU 77 Cb 1.06 -0.34 -0.00 0.00 -2.33 0.00 0.00 43.42 41.81 1s5d n LEU 77 CO 0.43 0.66 1.08 -0.94 -1.33 0.00 0.00 177.39 177.29 1s5d s SER 78 N -1.92 6.30 0.00 -1.43 1.04 -1.21 -1.53 113.70 114.94 1s5d s SER 78 Ca 0.27 2.94 0.00 0.00 0.48 0.00 0.00 55.95 59.63 1s5d s SER 78 Cb 0.21 -2.66 0.00 0.00 0.10 0.00 0.00 66.02 63.67 1s5d s SER 78 CO 0.06 -0.89 0.00 0.61 0.98 0.00 0.00 173.24 174.00 1s5d n GLY 79 N 0.55 0.96 3.60 7.32 0.00 -1.26 -5.01 105.19 111.34 1s5d n GLY 79 Ca 0.02 0.00 -0.41 0.00 0.00 0.00 0.00 46.02 45.63 1s5d n GLY 79 CO 0.00 0.00 0.00 0.30 0.00 0.00 0.00 173.32 173.62 1s5d s HIS 80 N -2.41 3.23 0.42 1.61 4.02 -0.58 -4.96 115.29 116.62 1s5d s HIS 80 Ca 0.00 0.60 0.17 0.00 1.02 0.00 0.00 55.06 56.86 1s5d s HIS 80 Cb 0.00 -2.94 1.05 0.00 -1.02 0.00 0.00 32.58 29.66 1s5d s HIS 80 CO 0.00 -0.44 1.97 0.66 1.02 0.00 0.00 174.74 177.95 1s5d h SER 81 N 8.14 0.00 -3.46 1.40 4.64 -1.91 -3.41 113.55 118.94 1s5d h SER 81 Ca -0.27 0.00 -0.37 0.00 -0.47 0.00 0.00 61.79 60.68 1s5d h SER 81 Cb 1.12 0.00 -0.34 0.00 -0.31 0.00 0.00 62.40 62.87 1s5d h SER 81 CO 0.79 0.21 -0.76 -0.89 -0.87 0.00 0.00 176.83 175.31 1s5d s THR 82 N -4.42 0.32 0.34 2.95 2.01 -1.26 -1.21 115.64 114.37 1s5d s THR 82 Ca -0.03 0.01 0.05 0.00 0.31 0.00 0.00 61.69 62.03 1s5d s THR 82 Cb 0.15 -0.40 -0.02 0.00 0.01 0.00 0.00 72.50 72.24 1s5d s THR 82 CO 0.68 0.18 0.34 -0.72 -0.69 0.00 0.00 174.62 174.41 1s5d s TYR 83 N 1.05 1.61 0.10 4.92 -0.85 -0.57 -4.90 117.35 118.71 1s5d s TYR 83 Ca -0.09 -1.59 0.07 0.00 -0.52 0.00 0.00 57.07 54.94 1s5d s TYR 83 Cb -0.14 -0.56 -0.03 0.00 0.38 0.00 0.00 41.96 41.61 1s5d s TYR 83 CO -0.01 -0.96 -0.18 0.71 -1.52 0.00 0.00 175.55 173.59 1s5d s TYR 84 N -3.29 1.60 -0.26 -3.49 1.51 -0.68 -0.27 117.35 112.46 1s5d s TYR 84 Ca 0.38 -0.45 -0.02 0.00 -1.01 0.00 0.00 57.07 55.98 1s5d s TYR 84 Cb 0.01 -0.87 0.03 0.00 -0.11 0.00 0.00 41.96 41.03 1s5d s TYR 84 CO 0.27 0.17 -0.05 0.42 -1.11 0.00 0.00 175.55 175.25 1s5d s ILE 85 N -1.37 2.89 0.08 2.71 1.01 -0.23 -0.99 121.20 125.31 1s5d s ILE 85 Ca 0.05 -1.13 -0.26 0.00 0.00 0.00 0.00 60.65 59.32 1s5d s ILE 85 Cb -0.09 -2.52 -0.06 0.00 0.01 0.00 0.00 42.46 39.80 1s5d s ILE 85 CO 0.04 0.12 0.79 -0.31 0.00 0.00 0.00 174.94 175.57 1s5d s TYR 86 N 1.30 3.79 -0.25 3.97 2.02 0.05 -0.93 117.35 127.29 1s5d s TYR 86 Ca -0.01 1.55 -0.09 0.00 -0.37 0.00 0.00 57.07 58.15 1s5d s TYR 86 Cb -0.17 -2.83 -0.04 0.00 -0.40 0.00 0.00 41.96 38.51 1s5d s TYR 86 CO -0.04 0.33 0.11 0.08 -1.57 0.00 0.00 175.55 174.46 1s5d s VAL 87 N -0.32 4.74 -0.06 0.71 1.01 0.23 -1.55 120.40 125.17 1s5d s VAL 87 Ca 0.39 -0.03 0.05 0.00 0.00 0.00 0.00 61.98 62.39 1s5d s VAL 87 Cb -0.21 -3.23 -0.00 0.00 0.00 0.00 0.00 36.38 32.93 1s5d s VAL 87 CO 0.25 0.32 -0.20 -0.63 0.00 0.00 0.00 175.10 174.83 1s5d s ILE 88 N 1.53 1.71 0.51 2.22 1.01 0.47 -0.18 121.20 128.48 1s5d s ILE 88 Ca 0.06 -0.86 -0.19 0.00 0.00 0.00 0.00 60.65 59.66 1s5d s ILE 88 Cb -0.15 -1.47 -0.07 0.00 0.01 0.00 0.00 42.46 40.78 1s5d s ILE 88 CO 0.06 0.48 1.06 0.00 0.00 0.00 0.00 174.94 176.54 1s5d s ALA 89 N 0.10 2.82 0.27 9.38 0.00 0.08 0.37 121.76 134.77 1s5d s ALA 89 Ca -0.08 0.61 -0.29 0.00 0.00 0.00 0.00 51.96 52.20 1s5d s ALA 89 Cb -0.14 -3.27 -0.09 0.00 0.00 0.00 0.00 23.12 19.62 1s5d s ALA 89 CO 0.04 -0.47 1.02 0.95 0.00 0.00 0.00 175.76 177.30 1s5d s THR 90 N -2.02 3.79 0.19 0.00 -4.23 -1.14 -4.80 115.64 107.43 1s5d s THR 90 Ca 0.68 1.76 -0.23 0.00 -1.18 0.00 0.00 61.69 62.72 1s5d s THR 90 Cb -0.18 -4.11 0.05 0.00 1.34 0.00 0.00 72.50 69.61 1s5d s THR 90 CO 0.24 0.39 0.68 0.00 -0.54 0.00 0.00 174.62 175.39 1s5d s ALA 91 N -1.22 -1.48 -1.54 3.99 0.00 -1.21 -4.18 121.76 116.12 1s5d s ALA 91 Ca 0.44 0.22 0.00 0.00 0.00 0.00 0.00 51.96 52.62 1s5d s ALA 91 Cb -0.28 0.83 0.00 0.00 0.00 0.00 0.00 23.12 23.67 1s5d s ALA 91 CO 0.35 -0.87 0.56 -2.30 0.00 0.00 0.00 175.76 173.50 1s5d n PRO 92 N -0.40 0.73 0.00 0.00 -0.02 -0.39 -1.85 135.00 133.07 1s5d n PRO 92 Ca -0.11 0.00 0.14 0.00 -2.02 0.00 0.00 63.50 61.51 1s5d n PRO 92 Cb 0.62 -1.17 0.58 0.00 -0.02 0.00 0.00 33.50 33.51 1s5d n PRO 92 CO 0.00 0.00 0.00 0.27 1.98 0.00 0.00 175.50 177.75 1s5d n ASN 93 N -0.21 0.92 -4.72 2.55 6.94 -1.26 -4.31 115.26 115.17 1s5d n ASN 93 Ca 0.00 -1.06 -0.35 0.00 -0.02 0.00 0.00 54.58 53.15 1s5d n ASN 93 Cb 0.08 0.01 -0.08 0.00 -2.36 0.00 0.00 39.78 37.43 1s5d n ASN 93 CO 0.00 0.00 0.00 -0.04 -1.03 0.00 0.00 177.26 176.19 1s5d s MET 94 N -2.23 3.69 -0.05 -3.83 -1.94 -0.77 -0.56 119.30 113.61 1s5d s MET 94 Ca 0.34 -0.28 0.06 0.00 -1.71 0.00 0.00 55.69 54.10 1s5d s MET 94 Cb 0.21 -3.16 -0.01 0.00 2.01 0.00 0.00 34.83 33.88 1s5d s MET 94 CO 0.42 0.49 -0.22 -0.06 -0.01 0.00 0.00 175.02 175.63 1s5d s PHE 95 N -0.23 2.15 -0.38 -0.03 0.08 0.43 -1.14 117.98 118.85 1s5d s PHE 95 Ca 0.09 -0.59 -0.29 0.00 0.12 0.00 0.00 56.93 56.25 1s5d s PHE 95 Cb -0.12 -1.41 0.01 0.00 -0.57 0.00 0.00 43.02 40.93 1s5d s PHE 95 CO 0.01 -0.17 1.31 1.21 -0.10 0.00 0.00 175.22 177.48 1s5d s ASN 96 N -0.17 6.54 0.15 1.36 3.84 -1.26 -0.86 114.94 124.54 1s5d s ASN 96 Ca -0.01 0.91 -0.14 0.00 0.21 0.00 0.00 52.86 53.83 1s5d s ASN 96 Cb -0.12 -2.54 0.03 0.00 -0.55 0.00 0.00 41.25 38.06 1s5d s ASN 96 CO 0.02 -1.25 1.68 0.58 -2.79 0.00 0.00 177.10 175.34 1s5d h VAL 97 N 6.20 1.22 -0.69 -5.21 2.07 -1.61 -1.44 116.25 116.81 1s5d h VAL 97 Ca -0.26 -0.74 0.01 0.00 0.82 0.00 0.00 66.70 66.53 1s5d h VAL 97 Cb 1.09 0.80 -0.03 0.00 -1.52 0.00 0.00 31.29 31.63 1s5d h VAL 97 CO 1.07 0.27 0.46 0.78 0.02 0.00 0.00 177.57 180.17 1s5d h ASN 98 N 0.65 0.78 -0.24 0.57 -0.26 -1.91 0.20 115.58 115.37 1s5d h ASN 98 Ca 0.16 -0.02 -0.19 0.00 -0.56 0.00 0.00 56.30 55.69 1s5d h ASN 98 Cb 0.26 -0.19 0.00 0.00 -1.06 0.00 0.00 38.32 37.33 1s5d h ASN 98 CO -0.01 0.56 -0.59 0.44 -1.06 0.00 0.00 177.43 176.77 1s5d h ASP 99 N 0.92 0.95 0.15 5.81 3.32 -1.73 -0.76 116.42 125.06 1s5d h ASP 99 Ca 0.25 -0.53 -0.25 0.00 0.02 0.00 0.00 57.03 56.53 1s5d h ASP 99 Cb -0.08 -0.27 0.03 0.00 0.22 0.00 0.00 39.33 39.22 1s5d h ASP 99 CO -0.06 1.32 -1.06 0.58 -1.72 0.00 0.00 179.24 178.30 1s5d h VAL 100 N 0.63 1.38 -0.00 -1.35 2.07 -0.90 -3.31 116.25 114.78 1s5d h VAL 100 Ca 0.00 -2.49 0.00 0.00 0.82 0.00 0.00 66.70 65.03 1s5d h VAL 100 Cb 1.20 2.95 0.00 0.00 -1.52 0.00 0.00 31.29 33.92 1s5d h VAL 100 CO 0.13 0.73 -0.36 0.18 0.02 0.00 0.00 177.57 178.27 1s5d n LEU 101 N -3.95 0.43 0.00 2.57 4.77 0.02 -4.77 117.00 116.07 1s5d n LEU 101 Ca -0.14 0.09 0.00 0.00 -0.03 0.00 0.00 56.01 55.93 1s5d n LEU 101 Cb 0.92 -0.29 0.00 0.00 -2.33 0.00 0.00 43.42 41.72 1s5d n LEU 101 CO 0.54 0.10 0.00 0.61 -1.33 0.00 0.00 177.39 177.31 1s5d n GLY 102 N 1.48 2.79 0.12 -0.72 0.00 -0.29 -1.07 105.19 107.50 1s5d n GLY 102 Ca 0.07 -0.16 0.10 0.00 0.00 0.00 0.00 46.02 46.03 1s5d n GLY 102 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 1s5d n ALA 103 N 8.79 1.28 0.81 4.61 0.00 -1.26 -1.50 120.51 133.23 1s5d n ALA 103 Ca 0.00 0.12 0.11 0.00 0.00 0.00 0.00 53.44 53.68 1s5d n ALA 103 Cb 0.00 -1.29 0.28 0.00 0.00 0.00 0.00 19.45 18.44 1s5d n ALA 103 CO 0.00 0.00 0.00 0.66 0.00 0.00 0.00 177.50 178.16 1s5d n TYR 104 N -2.10 0.31 -1.68 0.00 4.01 -0.23 -4.89 117.16 112.57 1s5d n TYR 104 Ca 0.00 -0.15 -0.42 0.00 -0.16 0.00 0.00 57.90 57.17 1s5d n TYR 104 Cb 0.10 0.00 -0.03 0.00 -0.31 0.00 0.00 39.34 39.10 1s5d n TYR 104 CO 0.00 0.00 0.00 0.45 -0.46 0.00 0.00 176.86 176.85 1s5d s SER 105 N -1.60 6.40 0.43 7.72 0.15 -0.56 -4.88 113.70 121.35 1s5d s SER 105 Ca 0.35 2.60 0.23 0.00 0.70 0.00 0.00 55.95 59.83 1s5d s SER 105 Cb 0.20 -2.53 0.92 0.00 -1.71 0.00 0.00 66.02 62.90 1s5d s SER 105 CO 0.29 -1.11 1.83 1.55 1.20 0.00 0.00 173.24 177.01 1s5d h PRO 106 N 10.83 0.00 -2.03 5.44 0.13 -1.90 -3.35 132.00 141.12 1s5d h PRO 106 Ca -0.49 0.00 -0.54 0.00 -0.87 0.00 0.00 66.00 64.11 1s5d h PRO 106 Cb 1.23 0.00 -0.40 0.00 0.13 0.00 0.00 31.00 31.97 1s5d h PRO 106 CO 0.94 0.26 -1.08 0.72 -0.23 0.00 0.00 178.00 178.60 1s5d n HIS 107 N -3.48 0.32 0.22 1.56 8.25 -1.26 -4.99 115.22 115.84 1s5d n HIS 107 Ca -0.00 -3.72 0.06 0.00 -0.26 0.00 0.00 57.72 53.80 1s5d n HIS 107 Cb 0.43 -0.40 0.52 0.00 1.12 0.00 0.00 29.99 31.66 1s5d n HIS 107 CO 0.00 0.00 0.00 -1.00 0.64 0.00 0.00 176.34 175.98 1s5d h PRO 108 N 3.60 0.00 0.00 -0.41 0.13 -1.98 -2.15 132.00 131.19 1s5d h PRO 108 Ca 0.09 0.00 -0.01 0.00 -0.87 0.00 0.00 66.00 65.21 1s5d h PRO 108 Cb 0.88 0.00 -0.00 0.00 0.13 0.00 0.00 31.00 32.01 1s5d h PRO 108 CO 0.52 0.21 -0.06 -0.44 -0.23 0.00 0.00 178.00 178.00 1s5d h ASP 109 N 0.00 0.00 1.26 1.44 3.32 -1.95 -2.56 116.42 117.94 1s5d h ASP 109 Ca -0.00 0.00 0.00 0.00 0.02 0.00 0.00 57.03 57.05 1s5d h ASP 109 Cb 0.41 0.00 0.00 0.00 0.22 0.00 0.00 39.33 39.96 1s5d h ASP 109 CO 0.03 0.06 0.00 -0.33 -1.72 0.00 0.00 179.24 177.28 1s5d h GLU 110 N 0.00 0.00 -6.52 3.56 3.07 -1.83 -3.47 114.58 109.39 1s5d h GLU 110 Ca -0.00 0.00 -0.51 0.00 -0.50 0.00 0.00 59.36 58.35 1s5d h GLU 110 Cb 0.41 0.00 -0.06 0.00 -0.84 0.00 0.00 28.75 28.26 1s5d h GLU 110 CO 0.01 0.00 -0.89 1.04 -1.40 0.00 0.00 179.01 177.77 1s5d n GLN 111 N -3.03 -3.13 -2.81 2.33 6.02 -0.97 -4.86 117.38 110.93 1s5d n GLN 111 Ca 0.02 0.39 -0.35 0.00 -0.01 0.00 0.00 57.00 57.04 1s5d n GLN 111 Cb 0.36 -4.46 -0.07 0.00 1.02 0.00 0.00 30.24 27.09 1s5d n GLN 111 CO 0.00 0.00 0.00 -1.21 -1.01 0.00 0.00 177.06 174.84 1s5d s GLU 112 N -6.59 4.41 -0.14 -1.09 2.02 -1.26 -4.38 118.70 111.68 1s5d s GLU 112 Ca 0.01 1.22 0.02 0.00 0.02 0.00 0.00 54.97 56.23 1s5d s GLU 112 Cb -0.00 -2.53 0.01 0.00 0.10 0.00 0.00 34.13 31.71 1s5d s GLU 112 CO 0.89 0.15 -0.19 0.08 0.02 0.00 0.00 175.26 176.21 1s5d s VAL 113 N -1.86 1.89 -0.04 2.63 1.01 -0.71 -1.40 120.40 121.91 1s5d s VAL 113 Ca 0.55 -0.86 0.06 0.00 0.00 0.00 0.00 61.98 61.73 1s5d s VAL 113 Cb -0.14 -1.69 -0.02 0.00 0.00 0.00 0.00 36.38 34.53 1s5d s VAL 113 CO 0.19 0.51 -0.23 -0.44 0.00 0.00 0.00 175.10 175.13 1s5d s SER 114 N 1.02 3.26 -0.30 3.32 0.01 -0.04 -0.66 113.70 120.32 1s5d s SER 114 Ca -0.03 -0.43 -0.14 0.00 1.31 0.00 0.00 55.95 56.65 1s5d s SER 114 Cb -0.15 -0.64 -0.03 0.00 0.21 0.00 0.00 66.02 65.42 1s5d s SER 114 CO -0.05 0.29 0.34 0.00 0.41 0.00 0.00 173.24 174.24 1s5d s ALA 115 N -0.45 3.53 -0.21 1.44 0.00 0.11 -0.43 121.76 125.75 1s5d s ALA 115 Ca 0.05 -1.03 -0.29 0.00 0.00 0.00 0.00 51.96 50.69 1s5d s ALA 115 Cb -0.12 -2.73 -0.02 0.00 0.00 0.00 0.00 23.12 20.25 1s5d s ALA 115 CO 0.01 -0.83 1.55 -1.17 0.00 0.00 0.00 175.76 175.32 1s5d s LEU 116 N 2.01 3.95 0.00 0.00 1.98 0.27 -1.52 118.68 125.37 1s5d s LEU 116 Ca 0.12 1.62 0.00 0.00 -2.89 0.00 0.00 54.13 52.98 1s5d s LEU 116 Cb -0.16 -3.53 0.00 0.00 0.66 0.00 0.00 46.19 43.16 1s5d s LEU 116 CO 0.11 -1.17 0.00 0.61 -1.89 0.00 0.00 176.35 174.01 1s5d n GLY 117 N 4.49 0.76 1.25 7.98 0.00 0.12 -4.92 105.19 114.86 1s5d n GLY 117 Ca 0.18 0.00 0.00 0.00 0.00 0.00 0.00 46.02 46.20 1s5d n GLY 117 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 1s5d n GLY 118 N -2.22 -2.68 3.11 -0.02 0.00 -0.86 -4.64 105.19 97.88 1s5d n GLY 118 Ca 0.00 -1.89 -0.34 0.00 0.00 0.00 0.00 46.02 43.80 1s5d n GLY 118 CO 0.00 0.00 0.00 -0.42 0.00 0.00 0.00 173.32 172.90 1s5d s ILE 119 N -0.45 2.67 0.59 -0.61 1.01 -0.34 -4.83 121.20 119.23 1s5d s ILE 119 Ca 0.00 -1.74 -0.20 0.00 0.00 0.00 0.00 60.65 58.71 1s5d s ILE 119 Cb 0.00 -2.67 -0.04 0.00 0.01 0.00 0.00 42.46 39.76 1s5d s ILE 119 CO 0.00 -0.27 1.15 -2.65 0.00 0.00 0.00 174.94 173.18 1s5d n PRO 120 N 4.49 1.19 -0.32 2.79 -0.02 -1.26 -0.75 135.00 141.12 1s5d n PRO 120 Ca -0.08 0.45 0.10 0.00 -2.02 0.00 0.00 63.50 61.94 1s5d n PRO 120 Cb 0.42 -2.36 0.27 0.00 -0.02 0.00 0.00 33.50 31.81 1s5d n PRO 120 CO 0.00 0.00 0.00 -0.92 1.98 0.00 0.00 175.50 176.56 1s5d h TYR 121 N 0.81 0.87 0.00 6.00 3.20 -1.53 -0.92 116.97 125.40 1s5d h TYR 121 Ca -0.49 0.04 0.00 0.00 3.14 0.00 0.00 58.73 61.41 1s5d h TYR 121 Cb 1.34 -0.25 0.00 0.00 1.54 0.00 0.00 36.73 39.36 1s5d h TYR 121 CO 0.41 0.18 0.00 0.66 -1.64 0.00 0.00 178.16 177.76 1s5d h SER 122 N 0.65 0.00 0.62 -2.11 4.64 -1.87 -1.53 113.55 113.96 1s5d h SER 122 Ca 0.52 0.00 0.00 0.00 -0.47 0.00 0.00 61.79 61.84 1s5d h SER 122 Cb 0.79 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 62.88 1s5d h SER 122 CO -0.39 0.00 -0.20 1.67 -0.87 0.00 0.00 176.83 177.04 1s5d n GLN 123 N -3.06 0.23 -3.08 4.77 7.27 -0.35 -3.41 117.38 119.76 1s5d n GLN 123 Ca -0.01 -0.08 -0.43 0.00 0.07 0.00 0.00 57.00 56.56 1s5d n GLN 123 Cb 0.21 -1.50 -0.06 0.00 2.41 0.00 0.00 30.24 31.30 1s5d n GLN 123 CO 0.00 0.00 0.00 0.42 0.07 0.00 0.00 177.06 177.55 1s5d s ILE 124 N -2.83 4.81 0.18 1.69 1.01 -0.58 -0.74 121.20 124.74 1s5d s ILE 124 Ca 0.18 0.35 -0.09 0.00 0.00 0.00 0.00 60.65 61.09 1s5d s ILE 124 Cb 0.19 -4.19 0.04 0.00 0.01 0.00 0.00 42.46 38.51 1s5d s ILE 124 CO 0.57 -0.53 1.61 0.22 0.00 0.00 0.00 174.94 176.81 1s5d h TYR 125 N 8.75 1.12 0.00 3.97 3.20 -0.86 -3.39 116.97 129.76 1s5d h TYR 125 Ca -0.26 -0.23 0.00 0.00 3.14 0.00 0.00 58.73 61.38 1s5d h TYR 125 Cb 1.10 -0.28 0.00 0.00 1.54 0.00 0.00 36.73 39.09 1s5d h TYR 125 CO 0.75 1.04 0.00 0.41 -1.64 0.00 0.00 178.16 178.72 1s5d n GLY 126 N -0.28 -1.29 3.37 1.82 0.00 -1.13 -1.26 105.19 106.42 1s5d n GLY 126 Ca 0.01 -0.99 -0.15 0.00 0.00 0.00 0.00 46.02 44.89 1s5d n GLY 126 CO 0.00 0.00 0.00 0.66 0.00 0.00 0.00 173.32 173.98 1s5d s TRP 127 N -3.00 -0.41 0.03 1.61 -2.14 -0.37 -0.60 118.94 114.07 1s5d s TRP 127 Ca 0.00 0.71 -0.00 0.00 2.66 0.00 0.00 56.10 59.47 1s5d s TRP 127 Cb 0.00 0.23 -0.04 0.00 -3.10 0.00 0.00 33.47 30.56 1s5d s TRP 127 CO 0.00 -0.47 0.15 0.71 -2.66 0.00 0.00 176.95 174.68 1s5d s TYR 128 N -1.12 3.41 0.02 1.66 2.02 -0.11 -1.07 117.35 122.16 1s5d s TYR 128 Ca -0.11 0.23 -0.16 0.00 -0.37 0.00 0.00 57.07 56.66 1s5d s TYR 128 Cb -0.03 -1.74 -0.06 0.00 -0.40 0.00 0.00 41.96 39.73 1s5d s TYR 128 CO 0.06 0.58 0.45 -0.98 -1.57 0.00 0.00 175.55 174.10 1s5d s ARG 129 N -2.18 4.01 -0.24 -0.62 1.70 -1.26 -1.07 118.95 119.30 1s5d s ARG 129 Ca 0.29 0.50 -0.01 0.00 -0.47 0.00 0.00 55.73 56.05 1s5d s ARG 129 Cb -0.13 -3.23 0.03 0.00 -0.57 0.00 0.00 34.95 31.05 1s5d s ARG 129 CO 0.21 0.66 -0.09 0.08 -1.08 0.00 0.00 175.30 175.08 1s5d s VAL 130 N -1.02 2.68 -0.23 4.99 1.01 0.62 -1.11 120.40 127.35 1s5d s VAL 130 Ca 0.25 -1.05 -0.02 0.00 0.00 0.00 0.00 61.98 61.16 1s5d s VAL 130 Cb -0.17 -2.34 0.01 0.00 0.00 0.00 0.00 36.38 33.88 1s5d s VAL 130 CO 0.15 0.24 -0.08 -1.38 0.00 0.00 0.00 175.10 174.03 1s5d s HIS 131 N 1.30 2.98 -1.49 5.22 -0.00 -0.69 -1.51 115.29 121.11 1s5d s HIS 131 Ca 0.00 -1.38 -0.11 0.00 -0.00 0.00 0.00 55.06 53.58 1s5d s HIS 131 Cb -0.16 -2.05 0.07 0.00 -0.00 0.00 0.00 32.58 30.43 1s5d s HIS 131 CO -0.06 -0.69 0.92 1.19 -0.00 0.00 0.00 174.74 176.10 1s5d n PHE 132 N 4.70 -2.22 -0.36 0.38 3.72 -0.35 -1.52 117.46 121.80 1s5d n PHE 132 Ca -0.18 0.89 0.00 0.00 -0.05 0.00 0.00 57.45 58.11 1s5d n PHE 132 Cb 0.49 -4.06 0.00 0.00 -0.94 0.00 0.00 39.48 34.97 1s5d n PHE 132 CO 0.00 0.00 0.00 0.41 -0.05 0.00 0.00 176.76 177.12 1s5d n GLY 133 N -1.68 1.95 3.55 1.37 0.00 -1.26 -4.99 105.19 104.13 1s5d n GLY 133 Ca -0.03 0.00 -0.41 0.00 0.00 0.00 0.00 46.02 45.58 1s5d n GLY 133 CO 0.00 0.00 0.00 0.14 0.00 0.00 0.00 173.32 173.46 1s5d s VAL 134 N -3.25 5.16 0.01 1.61 1.01 -0.58 -5.03 120.40 119.33 1s5d s VAL 134 Ca 0.00 0.13 -0.30 0.00 0.00 0.00 0.00 61.98 61.81 1s5d s VAL 134 Cb 0.00 -3.82 -0.07 0.00 0.00 0.00 0.00 36.38 32.49 1s5d s VAL 134 CO 0.00 -0.08 1.71 -0.22 0.00 0.00 0.00 175.10 176.51 1s5d s LEU 135 N 2.05 4.36 -0.01 3.92 2.96 -1.26 -1.70 118.68 129.00 1s5d s LEU 135 Ca 0.13 2.41 -0.28 0.00 -0.22 0.00 0.00 54.13 56.17 1s5d s LEU 135 Cb -0.16 -3.54 -0.03 0.00 0.50 0.00 0.00 46.19 42.95 1s5d s LEU 135 CO 0.12 -0.93 0.89 -0.62 -1.32 0.00 0.00 176.35 174.48 1s5d s ASP 136 N 3.17 7.26 0.21 3.68 -1.08 -0.27 -4.97 116.67 124.68 1s5d s ASP 136 Ca 0.76 1.52 0.24 0.00 -0.52 0.00 0.00 52.55 54.55 1s5d s ASP 136 Cb -0.37 -2.52 0.92 0.00 -1.46 0.00 0.00 42.92 39.48 1s5d s ASP 136 CO 0.33 -0.20 1.72 -0.62 0.52 0.00 0.00 175.17 176.92 1s5d n GLU 137 N 3.76 0.19 -2.51 4.34 4.71 -1.26 -4.45 120.64 125.41 1s5d n GLU 137 Ca 0.03 0.33 -0.43 0.00 -0.01 0.00 0.00 57.16 57.08 1s5d n GLU 137 Cb 0.51 -1.81 -0.02 0.00 -1.01 0.00 0.00 31.44 29.11 1s5d n GLU 137 CO 0.00 0.00 0.00 -1.14 0.09 0.00 0.00 177.13 176.08 1s5d s GLN 138 N -3.21 4.01 -0.21 3.49 0.74 -1.26 -5.01 119.66 118.21 1s5d s GLN 138 Ca 0.07 1.21 -0.23 0.00 0.05 0.00 0.00 55.36 56.46 1s5d s GLN 138 Cb 0.11 -3.81 -0.02 0.00 1.10 0.00 0.00 33.01 30.39 1s5d s GLN 138 CO 0.45 -0.99 0.76 -1.17 -0.55 0.00 0.00 175.29 173.79 1s5d s LEU 139 N 3.98 4.13 -0.10 3.68 2.96 -1.26 -4.53 118.68 127.53 1s5d s LEU 139 Ca 0.51 1.00 -0.20 0.00 -0.22 0.00 0.00 54.13 55.22 1s5d s LEU 139 Cb -0.15 -3.09 -0.04 0.00 0.50 0.00 0.00 46.19 43.41 1s5d s LEU 139 CO 0.19 -0.40 0.57 -1.00 -1.32 0.00 0.00 176.35 174.39 1s5d s HIS 140 N 2.32 3.53 0.04 5.38 3.76 -0.23 -4.91 115.29 125.17 1s5d s HIS 140 Ca 0.34 1.02 -0.14 0.00 -0.15 0.00 0.00 55.06 56.13 1s5d s HIS 140 Cb -0.16 -2.66 -0.06 0.00 1.11 0.00 0.00 32.58 30.81 1s5d s HIS 140 CO 0.10 0.12 0.43 1.03 -0.85 0.00 0.00 174.74 175.57 1s5d s ARG 141 N 0.77 3.91 -0.22 1.40 1.81 -1.26 -1.23 118.95 124.13 1s5d s ARG 141 Ca 0.30 0.39 -0.21 0.00 -1.72 0.00 0.00 55.73 54.50 1s5d s ARG 141 Cb -0.16 -3.14 -0.02 0.00 -0.45 0.00 0.00 34.95 31.18 1s5d s ARG 141 CO 0.13 0.63 0.64 1.21 -0.68 0.00 0.00 175.30 177.24 1s5d s ASN 142 N -1.31 6.66 0.50 0.23 2.47 -0.39 -4.94 114.94 118.17 1s5d s ASN 142 Ca 0.28 0.81 0.29 0.00 0.42 0.00 0.00 52.86 54.65 1s5d s ASN 142 Cb -0.16 -2.35 1.22 0.00 -1.45 0.00 0.00 41.25 38.51 1s5d s ASN 142 CO 0.15 -0.32 1.94 0.03 -3.72 0.00 0.00 177.10 175.18 1s5d h ARG 143 N 7.63 0.00 0.00 0.43 3.08 -1.91 -2.70 114.38 120.91 1s5d h ARG 143 Ca -0.29 0.00 0.00 0.00 0.07 0.00 0.00 59.98 59.76 1s5d h ARG 143 Cb 1.13 0.00 0.00 0.00 0.08 0.00 0.00 29.97 31.18 1s5d h ARG 143 CO 0.78 0.11 0.00 0.41 -1.07 0.00 0.00 179.97 180.20 1s5d n GLY 144 N -0.03 -1.21 3.79 0.04 0.00 -1.26 -4.87 105.19 101.65 1s5d n GLY 144 Ca -0.00 -0.08 -0.35 0.00 0.00 0.00 0.00 46.02 45.60 1s5d n GLY 144 CO 0.00 0.00 0.00 -0.47 0.00 0.00 0.00 173.32 172.85 1s5d s TYR 145 N -2.94 2.93 -0.30 1.61 5.04 -1.02 -4.21 117.35 118.47 1s5d s TYR 145 Ca 0.12 1.57 -0.00 0.00 -2.44 0.00 0.00 57.07 56.32 1s5d s TYR 145 Cb 0.14 -3.14 0.09 0.00 0.35 0.00 0.00 41.96 39.40 1s5d s TYR 145 CO 0.38 -1.03 0.07 1.03 -1.34 0.00 0.00 175.55 174.66 1s5d s ARG 146 N -3.15 0.90 0.06 4.97 1.81 -1.22 -5.04 118.95 117.28 1s5d s ARG 146 Ca 0.68 -1.11 -0.18 0.00 -1.72 0.00 0.00 55.73 53.40 1s5d s ARG 146 Cb -0.19 -2.23 -0.14 0.00 -0.45 0.00 0.00 34.95 31.94 1s5d s ARG 146 CO 0.23 -0.91 1.32 0.22 -0.68 0.00 0.00 175.30 175.48 1s5d h ASP 147 N 8.02 0.58 -0.38 0.23 3.58 -1.96 -2.17 116.42 124.32 1s5d h ASP 147 Ca -0.13 -0.55 -0.01 0.00 0.42 0.00 0.00 57.03 56.77 1s5d h ASP 147 Cb 1.03 -0.17 -0.02 0.00 1.72 0.00 0.00 39.33 41.90 1s5d h ASP 147 CO 0.46 1.02 0.20 0.03 -2.88 0.00 0.00 179.24 178.07 1s5d h ARG 148 N 0.17 0.54 0.21 0.28 3.08 -1.97 -0.07 114.38 116.61 1s5d h ARG 148 Ca 0.01 -0.07 -0.00 0.00 0.07 0.00 0.00 59.98 59.99 1s5d h ARG 148 Cb 0.92 -0.10 -0.01 0.00 0.08 0.00 0.00 29.97 30.85 1s5d h ARG 148 CO 0.07 0.45 -0.15 -0.92 -1.07 0.00 0.00 179.97 178.35 1s5d h TYR 149 N 0.49 -0.39 0.00 3.04 3.20 -1.99 -2.90 116.97 118.41 1s5d h TYR 149 Ca 0.13 -0.00 -0.11 0.00 3.14 0.00 0.00 58.73 61.89 1s5d h TYR 149 Cb 0.07 0.15 -0.02 0.00 1.54 0.00 0.00 36.73 38.47 1s5d h TYR 149 CO -0.02 -0.24 -0.54 1.88 -1.64 0.00 0.00 178.16 177.60 1s5d h TYR 150 N -0.36 0.00 0.00 -3.82 0.05 -1.36 -2.97 116.97 108.51 1s5d h TYR 150 Ca -0.01 0.00 0.00 0.00 0.05 0.00 0.00 58.73 58.77 1s5d h TYR 150 Cb 0.32 0.00 0.00 0.00 1.01 0.00 0.00 36.73 38.06 1s5d h TYR 150 CO -0.11 0.53 0.00 0.43 -1.05 0.00 0.00 178.16 177.97 1s5d n SER 151 N -3.23 0.32 -0.34 3.88 7.64 -0.05 -1.93 113.62 119.92 1s5d n SER 151 Ca 0.02 0.56 0.14 0.00 1.01 0.00 0.00 58.87 60.59 1s5d n SER 151 Cb 0.75 -0.63 0.50 0.00 -1.01 0.00 0.00 64.21 63.81 1s5d n SER 151 CO 0.00 0.00 0.00 -3.20 -3.01 0.00 0.00 175.04 168.83 1s5d n ASN 152 N -1.83 1.17 -4.53 6.43 5.15 -1.10 -1.92 115.26 118.63 1s5d n ASN 152 Ca 0.04 -1.17 -0.25 0.00 -0.60 0.00 0.00 54.58 52.60 1s5d n ASN 152 Cb 0.28 0.04 -0.09 0.00 -0.53 0.00 0.00 39.78 39.47 1s5d n ASN 152 CO 0.00 0.00 0.00 -0.76 1.40 0.00 0.00 177.26 177.90 1s5d s LEU 153 N -2.22 2.79 0.34 1.20 1.43 -0.81 -4.56 118.68 116.85 1s5d s LEU 153 Ca 0.33 -0.82 0.03 0.00 -1.03 0.00 0.00 54.13 52.64 1s5d s LEU 153 Cb 0.20 -1.38 -0.04 0.00 0.03 0.00 0.00 46.19 45.01 1s5d s LEU 153 CO 0.42 0.06 0.11 -1.81 0.23 0.00 0.00 176.35 175.35 1s5d s ASP 154 N -3.28 2.17 0.95 2.29 1.01 -1.26 -1.63 116.67 116.92 1s5d s ASP 154 Ca 0.28 -1.53 -0.11 0.00 0.71 0.00 0.00 52.55 51.90 1s5d s ASP 154 Cb -0.07 0.27 0.16 0.00 1.01 0.00 0.00 42.92 44.30 1s5d s ASP 154 CO 0.15 -0.81 1.09 0.27 0.21 0.00 0.00 175.17 176.09 1s5d s ILE 155 N -3.40 2.41 0.36 0.77 -4.36 -1.25 -1.26 121.20 114.46 1s5d s ILE 155 Ca 0.32 0.13 -0.27 0.00 -0.26 0.00 0.00 60.65 60.57 1s5d s ILE 155 Cb 0.05 -2.37 -0.09 0.00 1.25 0.00 0.00 42.46 41.30 1s5d s ILE 155 CO 0.15 -0.17 1.21 0.00 0.24 0.00 0.00 174.94 176.37 1s5d s ALA 156 N -2.73 3.32 0.58 2.27 0.00 -0.30 -4.65 121.76 120.25 1s5d s ALA 156 Ca 0.65 1.07 -0.19 0.00 0.00 0.00 0.00 51.96 53.50 1s5d s ALA 156 Cb -0.21 -3.41 -0.04 0.00 0.00 0.00 0.00 23.12 19.46 1s5d s ALA 156 CO 0.59 -0.52 1.18 -1.25 0.00 0.00 0.00 175.76 175.75 1s5d s PRO 157 N -1.96 3.09 0.49 0.00 0.04 -1.26 -4.64 135.00 130.75 1s5d s PRO 157 Ca 0.52 1.73 0.19 0.00 0.04 0.00 0.00 61.00 63.48 1s5d s PRO 157 Cb -0.35 -1.96 1.23 0.00 0.04 0.00 0.00 34.50 33.47 1s5d s PRO 157 CO 0.45 -1.09 2.01 0.00 0.04 0.00 0.00 177.00 178.41 1s5d h ALA 158 N 0.94 2.23 -0.03 8.56 0.00 -1.94 -0.82 119.26 128.20 1s5d h ALA 158 Ca -0.50 -0.01 0.01 0.00 0.00 0.00 0.00 54.91 54.41 1s5d h ALA 158 Cb 1.28 -0.01 -0.00 0.00 0.00 0.00 0.00 17.79 19.06 1s5d h ALA 158 CO 0.56 -0.35 0.03 0.00 0.00 0.00 0.00 179.25 179.49 1s5d h ALA 159 N 1.76 1.59 -0.00 0.00 0.00 -1.95 0.97 119.26 121.62 1s5d h ALA 159 Ca 0.22 -0.00 0.00 0.00 0.00 0.00 0.00 54.91 55.13 1s5d h ALA 159 Cb 0.67 0.00 0.00 0.00 0.00 0.00 0.00 17.79 18.46 1s5d h ALA 159 CO -0.03 -0.05 -0.13 -0.25 0.00 0.00 0.00 179.25 178.79 1s5d n ASP 160 N -3.87 0.14 -0.01 0.00 8.00 -0.31 -4.04 116.55 116.46 1s5d n ASP 160 Ca -0.02 0.27 0.05 0.00 0.71 0.00 0.00 54.79 55.79 1s5d n ASP 160 Cb 0.12 -0.30 -0.09 0.00 -0.02 0.00 0.00 41.12 40.83 1s5d n ASP 160 CO 0.00 0.00 0.00 0.61 -0.39 0.00 0.00 177.20 177.42 1s5d n GLY 161 N 1.49 -0.53 0.30 0.44 0.00 0.25 -4.68 105.19 102.46 1s5d n GLY 161 Ca 0.07 -0.27 0.03 0.00 0.00 0.00 0.00 46.02 45.85 1s5d n GLY 161 CO 0.00 0.00 0.00 -0.97 0.00 0.00 0.00 173.32 172.35 1s5d h TYR 162 N 0.00 0.84 0.00 1.61 0.05 -1.46 0.16 116.97 118.16 1s5d h TYR 162 Ca -0.03 0.03 0.00 0.00 0.05 0.00 0.00 58.73 58.78 1s5d h TYR 162 Cb 0.65 -0.25 0.00 0.00 1.01 0.00 0.00 36.73 38.14 1s5d h TYR 162 CO 0.00 0.34 0.00 0.78 -1.05 0.00 0.00 178.16 178.23 1s5d h GLY 163 N 0.78 0.00 -2.22 3.88 0.00 -1.83 -2.35 103.07 101.32 1s5d h GLY 163 Ca 0.40 0.00 0.00 0.00 0.00 0.00 0.00 47.33 47.73 1s5d h GLY 163 CO -0.25 0.00 0.00 1.04 0.00 0.00 0.00 176.54 177.33 1s5d n LEU 164 N -2.30 3.78 -0.26 3.11 4.77 0.51 -4.58 117.00 122.02 1s5d n LEU 164 Ca 0.02 -2.16 0.08 0.00 -0.03 0.00 0.00 56.01 53.92 1s5d n LEU 164 Cb 0.23 -0.43 0.32 0.00 -2.33 0.00 0.00 43.42 41.21 1s5d n LEU 164 CO 0.20 0.85 1.23 0.00 -1.33 0.00 0.00 177.39 178.34 1s5d h ALA 165 N 3.32 1.68 0.00 -1.18 0.00 -0.84 -3.35 119.26 118.89 1s5d h ALA 165 Ca 0.00 -0.01 0.00 0.00 0.00 0.00 0.00 54.91 54.90 1s5d h ALA 165 Cb 1.03 -0.19 0.00 0.00 0.00 0.00 0.00 17.79 18.63 1s5d h ALA 165 CO 0.06 0.15 0.00 0.41 0.00 0.00 0.00 179.25 179.87 1s5d n GLY 166 N -1.42 0.70 3.65 0.00 0.00 -1.26 -1.07 105.19 105.79 1s5d n GLY 166 Ca 0.15 -0.02 -0.39 0.00 0.00 0.00 0.00 46.02 45.75 1s5d n GLY 166 CO 0.00 0.00 0.00 0.69 0.00 0.00 0.00 173.32 174.01 1s5d n PHE 167 N -2.60 1.32 -1.03 1.61 3.72 -1.26 -4.66 117.46 114.56 1s5d n PHE 167 Ca 0.00 0.47 -0.33 0.00 -0.05 0.00 0.00 57.45 57.54 1s5d n PHE 167 Cb 0.00 -2.23 0.13 0.00 -0.94 0.00 0.00 39.48 36.45 1s5d n PHE 167 CO 0.00 0.00 0.00 -2.14 -0.05 0.00 0.00 176.76 174.57 1s5d s PRO 168 N -2.52 1.51 0.41 -1.08 0.02 -1.26 -4.90 135.00 127.18 1s5d s PRO 168 Ca 0.70 1.68 0.11 0.00 0.02 0.00 0.00 61.00 63.51 1s5d s PRO 168 Cb -0.46 -1.77 0.92 0.00 0.02 0.00 0.00 34.50 33.21 1s5d s PRO 168 CO 0.51 -2.29 1.96 -1.00 -0.33 0.00 0.00 177.00 175.86 1s5d h PRO 169 N -1.14 0.52 -0.00 5.54 0.13 -1.93 -1.54 132.00 133.59 1s5d h PRO 169 Ca -0.45 -0.03 0.00 0.00 -0.87 0.00 0.00 66.00 64.65 1s5d h PRO 169 Cb 1.29 -0.12 0.00 0.00 0.13 0.00 0.00 31.00 32.30 1s5d h PRO 169 CO 0.45 0.35 -0.01 -0.85 -0.23 0.00 0.00 178.00 177.71 1s5d n GLU 170 N -4.48 1.02 -2.34 0.86 0.00 -1.26 -2.09 120.64 112.35 1s5d n GLU 170 Ca 0.11 -0.14 -0.41 0.00 0.00 0.00 0.00 57.16 56.72 1s5d n GLU 170 Cb 0.33 -1.50 -0.03 0.00 0.00 0.00 0.00 31.44 30.24 1s5d n GLU 170 CO 0.00 0.00 0.00 -1.58 0.00 0.00 0.00 177.13 175.55 1s5d s HIS 171 N -2.07 3.39 0.59 -1.84 2.46 -0.58 -4.92 115.29 112.31 1s5d s HIS 171 Ca 0.44 1.39 0.29 0.00 0.47 0.00 0.00 55.06 57.65 1s5d s HIS 171 Cb 0.22 -3.47 1.79 0.00 -0.13 0.00 0.00 32.58 30.99 1s5d s HIS 171 CO 0.38 -1.34 2.23 0.07 -2.47 0.00 0.00 174.74 173.60 1s5d h ARG 172 N 5.23 0.00 -0.81 2.88 -0.00 -1.90 -2.68 114.38 117.10 1s5d h ARG 172 Ca -0.45 0.00 0.10 0.00 -0.00 0.00 0.00 59.98 59.63 1s5d h ARG 172 Cb 1.21 0.00 -0.06 0.00 -0.00 0.00 0.00 29.97 31.13 1s5d h ARG 172 CO 0.75 0.00 0.53 0.00 -0.00 0.00 0.00 179.97 181.25 1s5d h ALA 173 N 1.96 1.76 0.00 0.08 0.00 -1.92 -1.11 119.26 120.02 1s5d h ALA 173 Ca 0.02 -0.01 0.00 0.00 0.00 0.00 0.00 54.91 54.92 1s5d h ALA 173 Cb 0.09 -0.17 0.00 0.00 0.00 0.00 0.00 17.79 17.71 1s5d h ALA 173 CO -0.00 0.07 0.00 -1.49 0.00 0.00 0.00 179.25 177.83 1s5d h TRP 174 N 0.74 0.00 -0.39 0.00 -0.00 -1.82 -0.13 115.95 114.34 1s5d h TRP 174 Ca 0.38 0.00 0.00 0.00 -0.00 0.00 0.00 58.89 59.27 1s5d h TRP 174 Cb 0.46 0.00 0.00 0.00 -0.00 0.00 0.00 29.16 29.62 1s5d h TRP 174 CO -0.00 0.00 0.00 0.54 -0.00 0.00 0.00 178.44 178.98 1s5d n ARG 175 N -2.56 2.46 -4.44 0.49 1.74 -0.43 -3.71 116.66 110.21 1s5d n ARG 175 Ca -0.00 -2.26 -0.23 0.00 -0.77 0.00 0.00 57.85 54.58 1s5d n ARG 175 Cb 0.15 -1.49 -0.10 0.00 -1.02 0.00 0.00 32.46 30.00 1s5d n ARG 175 CO 0.00 0.00 0.00 -1.21 -1.52 0.00 0.00 177.63 174.90 1s5d s GLU 176 N -1.40 1.60 0.33 5.56 2.02 -0.06 -4.88 118.70 121.87 1s5d s GLU 176 Ca 0.37 -1.71 -0.24 0.00 0.02 0.00 0.00 54.97 53.42 1s5d s GLU 176 Cb 0.22 -1.67 -0.10 0.00 0.10 0.00 0.00 34.13 32.68 1s5d s GLU 176 CO 0.30 0.32 0.91 -1.21 0.02 0.00 0.00 175.26 175.59 1s5d s GLU 177 N -3.41 4.46 0.00 1.61 2.02 -1.26 -0.37 118.70 121.75 1s5d s GLU 177 Ca 0.27 1.21 0.27 0.00 0.02 0.00 0.00 54.97 56.74 1s5d s GLU 177 Cb -0.05 -2.69 0.87 0.00 0.10 0.00 0.00 34.13 32.36 1s5d s GLU 177 CO 0.13 0.24 1.67 -0.35 0.02 0.00 0.00 175.26 176.96 1s5d n PRO 178 N 0.35 0.04 0.20 0.39 -0.04 -1.26 -4.90 135.00 129.77 1s5d n PRO 178 Ca 0.02 -0.01 0.04 0.00 -0.04 0.00 0.00 63.50 63.51 1s5d n PRO 178 Cb 0.51 -1.50 0.41 0.00 -0.04 0.00 0.00 33.50 32.88 1s5d n PRO 178 CO 0.00 0.00 0.00 -1.49 -0.04 0.00 0.00 175.50 173.97 1s5d h TRP 179 N 0.03 0.00 -1.00 0.54 6.55 -1.50 -2.79 115.95 117.78 1s5d h TRP 179 Ca 0.00 0.00 0.23 0.00 0.95 0.00 0.00 58.89 60.07 1s5d h TRP 179 Cb 0.49 0.00 -0.10 0.00 -0.86 0.00 0.00 29.16 28.69 1s5d h TRP 179 CO 0.00 0.34 0.63 0.97 -1.05 0.00 0.00 178.44 179.32 1s5d h ILE 180 N 0.00 0.61 -0.00 1.49 2.10 -0.78 0.14 117.51 121.07 1s5d h ILE 180 Ca -0.00 -0.19 0.00 0.00 1.08 0.00 0.00 64.86 65.75 1s5d h ILE 180 Cb 0.64 0.01 0.00 0.00 -1.09 0.00 0.00 36.82 36.38 1s5d h ILE 180 CO 0.04 0.10 -0.00 1.41 -1.08 0.00 0.00 178.15 178.62 1s5d n HIS 181 N -4.70 0.00 -0.56 2.19 8.25 -1.05 -3.60 115.22 115.74 1s5d n HIS 181 Ca 0.24 0.00 0.00 0.00 -0.26 0.00 0.00 57.72 57.70 1s5d n HIS 181 Cb 0.73 -0.14 0.00 0.00 1.12 0.00 0.00 29.99 31.70 1s5d n HIS 181 CO 0.00 0.00 0.00 0.72 0.64 0.00 0.00 176.34 177.70 1s5d n HIS 182 N -1.14 0.00 -1.81 4.41 8.25 0.40 -5.08 115.22 120.26 1s5d n HIS 182 Ca 0.19 -0.19 -0.42 0.00 -0.26 0.00 0.00 57.72 57.04 1s5d n HIS 182 Cb 0.18 -0.02 -0.03 0.00 1.12 0.00 0.00 29.99 31.24 1s5d n HIS 182 CO 0.00 0.00 0.00 0.00 0.64 0.00 0.00 176.34 176.98 1s5d s ALA 183 N -0.38 3.82 0.71 -1.41 0.00 -0.64 -4.20 121.76 119.66 1s5d s ALA 183 Ca 0.00 1.45 -0.16 0.00 0.00 0.00 0.00 51.96 53.25 1s5d s ALA 183 Cb 0.00 -3.69 0.02 0.00 0.00 0.00 0.00 23.12 19.45 1s5d s ALA 183 CO 0.00 -0.98 1.16 -2.30 0.00 0.00 0.00 175.76 173.64 1s5d n PRO 184 N 4.58 0.67 -1.67 0.00 -0.02 -1.26 -4.87 135.00 132.43 1s5d n PRO 184 Ca 0.16 0.29 -0.53 0.00 -2.02 0.00 0.00 63.50 61.40 1s5d n PRO 184 Cb 0.37 -2.40 -0.06 0.00 -0.02 0.00 0.00 33.50 31.39 1s5d n PRO 184 CO 0.00 0.00 0.00 -2.30 1.98 0.00 0.00 175.50 175.18 1s5d n PRO 185 N -2.23 1.52 0.00 0.52 -0.02 -1.26 -1.50 135.00 132.04 1s5d n PRO 185 Ca 0.14 0.56 0.00 0.00 -2.02 0.00 0.00 63.50 62.18 1s5d n PRO 185 Cb 0.49 -2.28 0.00 0.00 -0.02 0.00 0.00 33.50 31.69 1s5d n PRO 185 CO 0.00 0.00 0.00 0.41 1.98 0.00 0.00 175.50 177.89 1s5d n GLY 186 N 3.79 2.67 3.72 -1.23 0.00 -1.26 -4.02 105.19 108.86 1s5d n GLY 186 Ca 0.23 0.00 -0.41 0.00 0.00 0.00 0.00 46.02 45.83 1s5d n GLY 186 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 1s5d n GLY 188 N 2.49 0.55 3.12 0.00 0.00 -0.89 -4.77 105.19 105.69 1s5d n GLY 188 Ca 0.03 0.00 0.00 0.00 0.00 0.00 0.00 46.02 46.05 1s5d n GLY 188 CO 0.00 0.00 0.00 -0.37 0.00 0.00 0.00 173.32 172.95 1s5d n THR 198 N -2.57 0.00 0.07 2.61 5.66 -1.26 -4.95 114.28 113.85 1s5d n THR 198 Ca 0.00 0.00 -0.12 0.00 -3.05 0.00 0.00 64.05 60.88 1s5d n THR 198 Cb 0.06 -0.03 -0.06 0.00 -1.55 0.00 0.00 70.33 68.75 1s5d n THR 198 CO 0.00 0.00 0.00 0.00 -3.05 0.00 0.00 175.07 172.02 1s5d h ASP 200 N -0.15 0.19 -0.42 0.00 3.32 -1.92 -0.42 116.42 117.02 1s5d h ASP 200 Ca 0.01 -0.05 -0.06 0.00 0.02 0.00 0.00 57.03 56.95 1s5d h ASP 200 Cb 0.15 -0.05 -0.02 0.00 0.22 0.00 0.00 39.33 39.64 1s5d h ASP 200 CO -0.03 0.45 0.04 -0.33 -1.72 0.00 0.00 179.24 177.66 1s5d h GLU 201 N 0.17 0.71 -0.04 3.56 3.07 -1.90 -1.97 114.58 118.18 1s5d h GLU 201 Ca 0.03 -0.20 -0.20 0.00 -0.50 0.00 0.00 59.36 58.48 1s5d h GLU 201 Cb 0.56 -0.08 -0.00 0.00 -0.84 0.00 0.00 28.75 28.39 1s5d h GLU 201 CO 0.04 0.77 -0.82 0.87 -1.40 0.00 0.00 179.01 178.47 1s5d h LYS 202 N 0.56 0.37 -0.48 2.33 6.56 -0.97 -1.69 116.57 123.25 1s5d h LYS 202 Ca 0.12 -0.34 0.05 0.00 -1.06 0.00 0.00 60.65 59.42 1s5d h LYS 202 Cb 0.41 0.08 -0.04 0.00 -0.57 0.00 0.00 32.23 32.11 1s5d h LYS 202 CO 0.01 1.00 0.23 1.15 -2.06 0.00 0.00 179.45 179.78 1s5d h THR 203 N 0.23 0.93 -0.11 -0.16 2.02 -1.04 -0.62 112.91 114.17 1s5d h THR 203 Ca -0.05 -0.15 -0.01 0.00 0.77 0.00 0.00 66.41 66.97 1s5d h THR 203 Cb 1.42 0.44 -0.00 0.00 -1.74 0.00 0.00 68.15 68.27 1s5d h THR 203 CO 0.14 0.08 0.04 -0.61 0.37 0.00 0.00 175.52 175.54 1s5d h GLN 204 N 0.45 0.16 -0.14 6.66 5.75 -1.20 -1.66 115.11 125.13 1s5d h GLN 204 Ca 0.22 -0.03 -0.08 0.00 -0.15 0.00 0.00 58.65 58.61 1s5d h GLN 204 Cb 0.15 -0.03 -0.01 0.00 1.07 0.00 0.00 27.48 28.66 1s5d h GLN 204 CO -0.17 0.27 -0.28 0.66 -2.65 0.00 0.00 178.83 176.66 1s5d h SER 205 N 0.01 0.26 -0.56 -0.69 4.64 -1.12 -0.24 113.55 115.85 1s5d h SER 205 Ca 0.04 -0.08 -0.08 0.00 -0.47 0.00 0.00 61.79 61.19 1s5d h SER 205 Cb 0.17 -0.07 -0.02 0.00 -0.31 0.00 0.00 62.40 62.17 1s5d h SER 205 CO -0.00 0.54 0.04 -0.07 -0.87 0.00 0.00 176.83 176.47 1s5d h LEU 206 N 0.23 0.93 -0.51 5.97 3.38 -0.94 -1.03 115.31 123.34 1s5d h LEU 206 Ca 0.03 -0.29 -0.03 0.00 0.09 0.00 0.00 57.88 57.69 1s5d h LEU 206 Cb 0.62 -0.25 -0.02 0.00 0.09 0.00 0.00 40.66 41.10 1s5d h LEU 206 CO 0.05 0.99 0.20 1.23 0.09 0.00 0.00 178.44 180.99 1s5d h GLY 207 N 0.85 0.83 1.02 0.83 0.00 -0.68 -0.95 103.07 104.96 1s5d h GLY 207 Ca 0.16 -0.46 -0.02 0.00 0.00 0.00 0.00 47.33 47.02 1s5d h GLY 207 CO 0.02 0.43 0.42 -2.08 0.00 0.00 0.00 176.54 175.33 1s5d h VAL 208 N 0.69 1.24 -0.29 4.60 2.07 -0.88 -1.11 116.25 122.57 1s5d h VAL 208 Ca 0.17 -0.62 -0.03 0.00 0.82 0.00 0.00 66.70 67.04 1s5d h VAL 208 Cb 0.21 0.20 -0.01 0.00 -1.52 0.00 0.00 31.29 30.17 1s5d h VAL 208 CO -0.01 0.27 0.06 0.50 0.02 0.00 0.00 177.57 178.41 1s5d h LYS 209 N 1.11 0.47 -0.56 1.57 3.64 -1.06 -1.11 116.57 120.63 1s5d h LYS 209 Ca 0.28 -0.12 0.05 0.00 -1.27 0.00 0.00 60.65 59.59 1s5d h LYS 209 Cb 0.06 -0.06 -0.05 0.00 -0.41 0.00 0.00 32.23 31.77 1s5d h LYS 209 CO -0.04 0.57 0.29 0.35 -2.27 0.00 0.00 179.45 178.34 1s5d h PHE 210 N 0.30 0.52 -0.31 1.91 3.04 -0.81 -1.27 116.94 120.31 1s5d h PHE 210 Ca 0.09 0.02 -0.11 0.00 3.98 0.00 0.00 57.97 61.95 1s5d h PHE 210 Cb 0.32 -0.15 -0.01 0.00 2.56 0.00 0.00 35.95 38.67 1s5d h PHE 210 CO 0.02 0.25 -0.25 1.25 -2.02 0.00 0.00 178.31 177.56 1s5d h LEU 211 N 0.55 0.76 -0.53 0.59 5.85 -1.05 -0.76 115.31 120.71 1s5d h LEU 211 Ca 0.25 -0.45 0.02 0.00 0.84 0.00 0.00 57.88 58.54 1s5d h LEU 211 Cb 0.16 -0.21 -0.03 0.00 0.37 0.00 0.00 40.66 40.95 1s5d h LEU 211 CO -0.17 1.05 0.33 -0.78 -0.34 0.00 0.00 178.44 178.52 1s5d h ASP 212 N 0.47 0.54 -0.63 1.25 3.58 -0.96 0.11 116.42 120.79 1s5d h ASP 212 Ca 0.06 -0.00 -0.09 0.00 0.42 0.00 0.00 57.03 57.42 1s5d h ASP 212 Cb 0.81 -0.12 -0.02 0.00 1.72 0.00 0.00 39.33 41.72 1s5d h ASP 212 CO 0.06 0.39 0.06 -0.33 -2.88 0.00 0.00 179.24 176.55 1s5d h GLU 213 N 0.66 1.08 -0.07 0.28 5.08 -1.10 -1.81 114.58 118.69 1s5d h GLU 213 Ca 0.21 -0.30 -0.01 0.00 -1.00 0.00 0.00 59.36 58.26 1s5d h GLU 213 Cb -0.01 -0.12 -0.00 0.00 0.50 0.00 0.00 28.75 29.12 1s5d h GLU 213 CO -0.08 1.01 0.02 -0.92 -1.00 0.00 0.00 179.01 178.04 1s5d h TYR 214 N 1.00 0.12 -0.06 4.33 3.20 -0.66 -3.04 116.97 121.86 1s5d h TYR 214 Ca 0.19 -0.01 -0.04 0.00 3.14 0.00 0.00 58.73 62.01 1s5d h TYR 214 Cb 0.48 -0.03 -0.01 0.00 1.54 0.00 0.00 36.73 38.71 1s5d h TYR 214 CO 0.03 0.31 -0.14 1.96 -1.64 0.00 0.00 178.16 178.69 1s5d h GLN 215 N -0.10 0.08 -0.82 1.82 4.20 -0.67 -1.17 115.11 118.45 1s5d h GLN 215 Ca 0.02 -0.02 0.04 0.00 0.06 0.00 0.00 58.65 58.76 1s5d h GLN 215 Cb 0.25 -0.01 -0.05 0.00 0.30 0.00 0.00 27.48 27.97 1s5d h GLN 215 CO 0.00 0.23 0.54 0.77 -0.67 0.00 0.00 178.83 179.70 1s5d h SER 216 N 0.08 0.86 -0.28 1.46 0.02 -1.21 -0.17 113.55 114.31 1s5d h SER 216 Ca 0.02 -0.01 -0.18 0.00 -0.84 0.00 0.00 61.79 60.77 1s5d h SER 216 Cb 0.30 -0.20 0.00 0.00 0.14 0.00 0.00 62.40 62.65 1s5d h SER 216 CO 0.02 0.59 -0.55 0.11 -1.14 0.00 0.00 176.83 175.86 1s5d h LYS 217 N 0.99 0.86 -0.34 3.45 1.57 -1.19 -1.70 116.57 120.22 1s5d h LYS 217 Ca 0.33 -0.56 -0.14 0.00 -1.87 0.00 0.00 60.65 58.41 1s5d h LYS 217 Cb 0.07 0.07 -0.00 0.00 0.08 0.00 0.00 32.23 32.44 1s5d h LYS 217 CO -0.10 1.19 -0.35 0.28 -0.57 0.00 0.00 179.45 179.90 1s5d h VAL 218 N 0.64 1.28 -0.43 0.50 2.07 -1.25 -2.00 116.25 117.07 1s5d h VAL 218 Ca 0.01 -1.53 0.02 0.00 0.82 0.00 0.00 66.70 66.02 1s5d h VAL 218 Cb 1.16 1.48 -0.03 0.00 -1.52 0.00 0.00 31.29 32.39 1s5d h VAL 218 CO 0.12 0.50 0.26 0.11 0.02 0.00 0.00 177.57 178.58 1s5d h LYS 219 N 0.62 0.50 -0.41 1.57 1.57 -1.03 -0.51 116.57 118.87 1s5d h LYS 219 Ca 0.05 -0.03 0.05 0.00 -1.87 0.00 0.00 60.65 58.85 1s5d h LYS 219 Cb 0.94 -0.11 -0.04 0.00 0.08 0.00 0.00 32.23 33.09 1s5d h LYS 219 CO 0.09 0.33 0.17 -0.09 -0.57 0.00 0.00 179.45 179.37 1s5d h ARG 220 N 0.52 0.33 0.28 3.15 2.43 -1.13 0.11 114.38 120.06 1s5d h ARG 220 Ca 0.17 -0.02 -0.01 0.00 -0.81 0.00 0.00 59.98 59.30 1s5d h ARG 220 Cb 0.00 -0.08 0.00 0.00 -0.42 0.00 0.00 29.97 29.48 1s5d h ARG 220 CO -0.07 0.22 -0.13 0.37 -1.51 0.00 0.00 179.97 178.84 1s5d h GLN 221 N 0.34 -0.36 -0.12 0.20 5.75 -0.92 -1.29 115.11 118.71 1s5d h GLN 221 Ca 0.19 0.02 -0.03 0.00 -0.15 0.00 0.00 58.65 58.68 1s5d h GLN 221 Cb 0.15 0.08 -0.00 0.00 1.07 0.00 0.00 27.48 28.78 1s5d h GLN 221 CO -0.17 -0.06 -0.04 0.82 -2.65 0.00 0.00 178.83 176.73 1s5d h ILE 222 N -0.67 1.30 0.00 2.39 1.08 -1.02 -2.43 117.51 118.16 1s5d h ILE 222 Ca -0.04 -1.01 -0.09 0.00 -0.39 0.00 0.00 64.86 63.33 1s5d h ILE 222 Cb 0.47 1.72 -0.01 0.00 -3.07 0.00 0.00 36.82 35.92 1s5d h ILE 222 CO 0.06 0.29 -0.42 -0.26 -0.69 0.00 0.00 178.15 177.14 1s5d h PHE 223 N -0.08 0.00 -0.36 1.37 0.04 -0.87 -1.94 116.94 115.10 1s5d h PHE 223 Ca 0.03 0.00 -0.07 0.00 2.80 0.00 0.00 57.97 60.73 1s5d h PHE 223 Cb 0.47 0.00 -0.01 0.00 2.20 0.00 0.00 35.95 38.61 1s5d h PHE 223 CO 0.06 0.42 -0.03 0.77 -0.60 0.00 0.00 178.31 178.92 1s5d h SER 224 N 0.00 0.66 -0.96 2.17 0.02 -1.21 -2.65 113.55 111.58 1s5d h SER 224 Ca -0.00 -0.33 0.06 0.00 -0.84 0.00 0.00 61.79 60.68 1s5d h SER 224 Cb 0.91 -0.18 -0.07 0.00 0.14 0.00 0.00 62.40 63.21 1s5d h SER 224 CO 0.05 0.83 0.61 1.23 -1.14 0.00 0.00 176.83 178.42 1s5d h GLY 225 N 0.47 1.46 2.00 -3.77 0.00 -1.12 -0.68 103.07 101.43 1s5d h GLY 225 Ca 0.10 -0.45 0.00 0.00 0.00 0.00 0.00 47.33 46.98 1s5d h GLY 225 CO 0.02 0.31 0.00 -0.97 0.00 0.00 0.00 176.54 175.91 1s5d h TYR 226 N 1.11 0.00 -0.38 5.60 -1.99 -1.10 -2.57 116.97 117.65 1s5d h TYR 226 Ca 0.42 0.00 0.00 0.00 2.00 0.00 0.00 58.73 61.15 1s5d h TYR 226 Cb 0.17 0.00 0.00 0.00 2.00 0.00 0.00 36.73 38.90 1s5d h TYR 226 CO -0.01 0.00 0.00 1.04 -0.00 0.00 0.00 178.16 179.19 1s5d n GLN 227 N -2.90 3.06 -0.07 4.88 6.02 -0.28 -4.49 117.38 123.61 1s5d n GLN 227 Ca -0.01 -2.50 0.09 0.00 -0.01 0.00 0.00 57.00 54.57 1s5d n GLN 227 Cb 0.14 -1.60 0.38 0.00 1.02 0.00 0.00 30.24 30.18 1s5d n GLN 227 CO 0.00 0.00 0.00 -1.13 -1.01 0.00 0.00 177.06 174.92 1s5d n SER 228 N 0.28 1.20 0.13 1.08 3.41 -0.97 -3.04 113.62 115.70 1s5d n SER 228 Ca 0.18 -1.67 0.12 0.00 -0.26 0.00 0.00 58.87 57.23 1s5d n SER 228 Cb 0.68 -0.09 0.17 0.00 -0.26 0.00 0.00 64.21 64.72 1s5d n SER 228 CO 0.00 0.00 0.00 -2.24 -0.16 0.00 0.00 175.04 172.64 1s5d h ASP 229 N 1.55 0.00 -2.63 4.04 2.03 -1.80 -3.48 116.42 116.12 1s5d h ASP 229 Ca 0.00 -0.06 -0.52 0.00 -0.73 0.00 0.00 57.03 55.72 1s5d h ASP 229 Cb 0.34 0.00 0.05 0.00 -0.83 0.00 0.00 39.33 38.89 1s5d h ASP 229 CO 0.00 0.03 1.04 -0.63 -1.03 0.00 0.00 179.24 178.64 1s5d s ILE 230 N -3.22 2.33 -0.28 4.15 1.01 -1.17 -4.97 121.20 119.05 1s5d s ILE 230 Ca 0.06 0.10 0.03 0.00 0.00 0.00 0.00 60.65 60.83 1s5d s ILE 230 Cb 0.10 -3.06 0.07 0.00 0.01 0.00 0.00 42.46 39.58 1s5d s ILE 230 CO 0.70 0.00 -0.04 -0.62 0.00 0.00 0.00 174.94 174.99 1s5d s ASP 231 N 1.81 4.42 0.11 3.58 2.15 -1.26 -5.03 116.67 122.46 1s5d s ASP 231 Ca 0.77 -1.61 -0.19 0.00 0.43 0.00 0.00 52.55 51.95 1s5d s ASP 231 Cb -0.47 -1.47 -0.06 0.00 -0.30 0.00 0.00 42.92 40.62 1s5d s ASP 231 CO 0.34 -0.27 1.71 0.74 -0.17 0.00 0.00 175.17 177.51 1s5d h THR 232 N 6.69 1.12 -0.97 1.71 2.02 -1.98 -3.16 112.91 118.33 1s5d h THR 232 Ca -0.14 -0.34 0.07 0.00 0.77 0.00 0.00 66.41 66.78 1s5d h THR 232 Cb 1.04 0.89 -0.07 0.00 -1.74 0.00 0.00 68.15 68.27 1s5d h THR 232 CO 0.47 0.12 0.62 -0.74 0.37 0.00 0.00 175.52 176.36 1s5d h HIS 233 N 0.29 1.15 0.00 3.16 6.17 -2.04 -2.45 115.15 121.43 1s5d h HIS 233 Ca 0.09 0.03 0.00 0.00 0.71 0.00 0.00 60.37 61.20 1s5d h HIS 233 Cb 0.08 -0.37 0.00 0.00 2.52 0.00 0.00 27.41 29.63 1s5d h HIS 233 CO -0.03 0.57 0.00 -0.91 0.71 0.00 0.00 177.93 178.27 1s5d h ASN 234 N 1.11 0.00 0.00 3.26 2.35 -2.00 -3.57 115.58 116.73 1s5d h ASN 234 Ca 0.43 0.00 0.00 0.00 -0.55 0.00 0.00 56.30 56.18 1s5d h ASN 234 Cb 0.22 0.00 0.00 0.00 0.05 0.00 0.00 38.32 38.59 1s5d h ASN 234 CO -0.19 0.00 0.00 -2.11 -1.65 0.00 0.00 177.43 173.48